SCHEMBL106677

SCHEMBL106677

CC1(N=C=O)CCCC(N=C=O)C1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.35

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
SCHEMBL13920839 0.97 ALDH1A1 (0.42) ALDH1A1CYP3A4
Methylamine SCHEMBL27496016 0.97 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL23051093 0.90 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL10996708 0.89 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL9858350 0.88 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL18824278 0.82 ALDH1A1 (0.61) ALDH1A1CYP3A4
SCHEMBL6052865 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL3188932 0.78 TSHR (0.41) ALDH1A1CYP3A4
SCHEMBL3184476 0.78 CYP1A2 (0.37)
Cyclohexane SCHEMBL3386540 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116454376-A Sulfonyl isocyanate composition with improved stability and preparation method thereof 万华化学集团股份有限公司 2023-07-18 CN claimed
CN-111138617-B Polyurethane optical material resin and preparation method thereof 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-110982034-B 1, 3-diisocyanatomethylcyclohexane composition and optical resin prepared from same 万华化学集团股份有限公司 2021-07-23 CN claimed
WO-2021103550-A1 1,3-BISISOCYANATOMETHYLCYCLOHEXANE COMPOSITION AND OPTICAL RESIN PREPARED THEREFROM 万华化学集团股份有限公司 2021-06-03 WO claimed
WO-2021057196-A1 ISOCYANATE COMPOSITION, AND OPTICAL RESIN PREPARED USING SAME 万华化学集团股份有限公司 2021-04-01 WO claimed
CN-110982034-A 1, 3-diisocyanatomethylcyclohexane composition and optical resin prepared from same 万华化学集团股份有限公司 2020-04-10 CN claimed
CN-110643010-A Isocyanate composition and optical resin prepared by using same 万华化学集团股份有限公司 2020-01-03 CN claimed
CN-109476819-A Preparation as hydrophobing agent 鲁道夫有限公司 2019-03-15 CN claimed
US-9777153-B2 Polyalkylene carbonate resin composition having an interpenetrating crosslinked structure SK INNOVATION CO., LTD. (KR) 2017-10-03 US claimed
CN-107108841-A Composition for polyurethane-base transparent formed article 科思创德国股份有限公司 2017-08-29 CN claimed
US-6548696-B2 Useful as starting material for acrylic or isocyanate-functionalized crosslinker, a bonding agent for coatings and adhesives, and a linker for solid-phase synthesis of oligonucleotides, polynucleotides, or peptides DEGUSSA AG (DE) 2003-04-15 US claimed
US-20020132955-A1 Curing agent composition and curing epoxy resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA 2002-09-19 US claimed
US-6451931-B1 REACTION PRODUCT OF AMINE, DIHYDRAZIDE AND POLYISOCYANATE ASAHI DENKI KOGYO KABUSHIKI KAISHA (JP) 2002-09-17 US claimed
EP-1221453-A1 Curing agent composition and curable epoxy resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 2002-07-10 EP claimed
US-20020049349-A1 Low monomer 1:1-monoadducts from hydroxy (meth) acrylates and diisocyanates and a process for their manufacture DEGUSSA AG (DE) 2002-04-25 US claimed
EP-1179555-A1 1:1 Monoadducts from hydroxy(meth)acrylates and diisocyanates having low monomer content and process for their preparation Degussa AG (DE) 2002-02-13 EP claimed
EP-0588534-B1 Radiation curing ink HAYAKAWA RUBBER (JP) 1998-12-02 EP claimed
EP-0588533-B1 Printed thermoplastic resin products and method for printing such products HAYAKAWA RUBBER (JP) 1998-08-12 EP claimed
US-5695884-A POLYESTERURETHANE COPOLYMER TOYO BOSEKI KABUSHIKI KAISHA (JP) 1997-12-09 US claimed
EP-0566037-A2 Polyisocyanates, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP claimed

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-20020049349-A1 Low monomer 1:1-monoadducts from hydroxy (meth) acrylates and diisocyanates and a process for their manufacture NOS1, PAM, ACP1 ALDH1A1 1560/4885CYP3A4 3145/4885

“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.