SCHEMBL239041

SCHEMBL239041

CC[N+](C)(CC)CC.CC[O-]

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.36
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
KCNA1 Q09470 1/20 0.33
KDM4E B2RXH2 1/20 0.31
PMP22 Q01453 1/20 0.31
ATM Q13315 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11424841 0.87 BBOX1 (0.38) BBOX1TSHRNFKB1KCNA1KDM4E
SCHEMBL151455 0.87
SCHEMBL11416215 0.85 BBOX1 (0.33) BBOX1
Hydrochloric Acid SCHEMBL239689 0.82
Ammonia Solution, Strong SCHEMBL10338698 0.82
SCHEMBL3318974 0.82
Fluoride Ion SCHEMBL191142 0.82
SCHEMBL7159542 0.82
Iodide SCHEMBL237968 0.82
Bromide SCHEMBL13736914 0.82 TSHR (0.39) BBOX1TSHRNFKB1KCNA1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330311-B1 STORAGE STABLE 1K-POLYURETHANE-PREPREGS AND MOULDED ARTICLE MADE FROM SAME ON THE BASIS OF A POLYURETHANE COMPOSITION EVONIK OPERATIONS GMBH (DE) 2021-05-05 EP claimed
US-10633519-B2 Storage-stable polyurethane prepregs and mouldings produced therefrom composed of a polyurethane composition with liquid resin components EVONIK OPERATIONS GMBH (DE) 2020-04-28 US claimed
US-10626236-B2 Storage-stable one-component polyurethane prepregs and shaped bodies composed of polyurethane composition that have been produced therefrom EVONIK OPERATIONS GMBH (DE) 2020-04-21 US claimed
US-20180155515-A1 STORAGE-STABLE ONE-COMPONENT POLYURETHANE PREPREGS AND SHAPED BODIES COMPOSED OF POLYURETHANE COMPOSITION THAT HAVE BEEN PRODUCED THEREFROM EVONIK OPERATIONS GMBH (DE) 2018-06-07 US claimed
EP-2411439-B1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2016-11-16 EP claimed
EP-2188320-B1 DUAL CURE FORMULATIONS WITH COMPONENTS COMPRISING URETDIONE GROUPS EVONIK DEGUSSA GMBH (DE) 2014-05-14 EP claimed
US-20140087613-A1 STORAGE-STABLE POLYURETHANE PREPREGS AND MOULDINGS PRODUCED THEREFROM COMPOSED OF A POLYURETHANE COMPOSITION WITH LIQUID RESIN COMPONENTS EVONIK DEGUSSA GMBH (DE) 2014-03-27 US claimed
US-8455090-B2 Prepegs and molded bodies produced thereof at low temperature EVONIK DEGUSSA GMBH (DE) 2013-06-04 US claimed
US-20120003890-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2012-01-05 US claimed
US-20100227942-A1 DUAL-CURE FORMULATIONS WITH COMPONENTS CONTAINING URETDIONE GROUPS EVONIK DEGUSSA GMBH (DE) 2010-09-09 US claimed
US-10793664-B2 Process for preparing trimers and/or oligomers of diisocyanates EVONIK OPERATIONS GMBH (DE) 2020-10-06 US disclosed
US-10633519-B2 Storage-stable polyurethane prepregs and mouldings produced therefrom composed of a polyurethane composition with liquid resin components EVONIK OPERATIONS GMBH (DE) 2020-04-28 US disclosed
US-10626236-B2 Storage-stable one-component polyurethane prepregs and shaped bodies composed of polyurethane composition that have been produced therefrom EVONIK OPERATIONS GMBH (DE) 2020-04-21 US disclosed
US-10336856-B2 Alkoxysilane- and allophanate-functionalized coating materials EVONIK DEGUSSA GMBH (DE) 2019-07-02 US disclosed
US-20180327538-A1 PROCESS FOR PREPARING TRIMERS AND/OR OLIGOMERS OF DIISOCYANATES EVONIK OPERATIONS GMBH (DE) 2018-11-15 US disclosed
US-20130078417-A1 SEMIFINISHED PRODUCT FOR THE PRODUCTION OF FIBRE COMPOSITE COMPONENTS BASED ON STABLE POLYURETHANE COMPOSITIONS EVONIK DEGUSSA GMBH (DE) 2013-03-28 US disclosed
US-20130045652-A1 METHOD FOR PRODUCING STORAGE-STABLE POLYURETHANE PREPREGS AND MOLDINGS PRODUCED THEREFROM EVONIK DEGUSSA GMBH (DE) 2013-02-21 US disclosed
US-20120003890-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2012-01-05 US disclosed
US-20100227942-A1 DUAL-CURE FORMULATIONS WITH COMPONENTS CONTAINING URETDIONE GROUPS EVONIK DEGUSSA GMBH (DE) 2010-09-09 US disclosed
US-4209643-A Preparation of acetals ETHYL CORPORATION (US) 1980-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10336856-B2 Alkoxysilane- and allophanate-functionalized coating materials DDAH1, OR10J3, AP3S1 BBOX1 649/4885TSHR 4762/4885NFKB1 3330/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.