SCHEMBL5635519

SCHEMBL5635519

[CH2]CCOC(=O)CCOC(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
MAPT P10636 2/20 0.36
BLM P54132 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DGKA P23743 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
DNM1 Q05193 1/20 0.30

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
SCHEMBL10404752 0.82 DGKA (0.45) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL3823424 0.79 CYP1A2 (0.47) MAPTALDH1A1DGKATSHR
SCHEMBL3823248 0.78 DGKA (0.52) MAPTALDH1A1DGKATSHRDNM1
SCHEMBL8194855 0.75 ALDH1A1 (0.38) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL8924001 0.74 ADRA2A (0.36) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL19066285 0.74 GABRP (0.47) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL128904 0.74
SCHEMBL6651373 0.74 TSHR (0.55) MAPTALDH1A1TSHR
SCHEMBL7741371 0.74 LMNA (0.52) MAPTALDH1A1TSHR
SCHEMBL13502946 0.74 ALDH1A1 (0.40) ALDH1A1TSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109261-B2 Latent mercaptans as multi-functional additives for halogen-containing polymer compositions ROHM AND HAAS COMPANY (US) 2006-09-19 US disclosed
US-20050176862-A1 Latent mercaptans as multi-functional additives for halogen-containing polymer compositions PMC CINCINNATI, INC. 2005-08-11 US disclosed
US-6790892-B1 MERCAPTAN-CONTAINING HEAT STABILIZER COMPOSITION SUBSTANTIALLY FREE FROM OFFENSIVE ODOR ROHM AND HAAS COMPANY 2004-09-14 US disclosed
US-6777467-B2 ODORLESS HEAT STABILIZER ROHM AND HAAS COMPANY 2004-08-17 US disclosed
US-6743840-B1 HEAT STABILIZER; ODORLESS; DEGRADATION PRODUCTS OF A BLOCKED MERCAPTAN ROHM AND HAAS COMPANY 2004-06-01 US disclosed
US-20030216493-A1 Latent mercaptans as multi-functional additives for halogen-containing polymer compositions PMC CINCINNATI, INC. 2003-11-20 US disclosed
US-6610218-B1 Substantially free of the offensive odor typical of mercaptans and which may be used as anti-oxidants, odorants, anti-microbial agents chelating agents and photostabilizers ROHM AND HAAS COMPANY 2003-08-26 US disclosed
US-6573318-B2 Highly effective heat stabilizers in halogenated polymer are prepared by the condensation of formaldehyde and para-substituted phenol and further condensation of the crude product with mercapto containing compound ROHM AND HAAS COMPANY 2003-06-03 US disclosed
US-6559214-B1 Composition comprising a halogen containing polymer and degradation products of a blocked mercaptan present as the sole heat stabilizer during processing of the composition at an elevated temperature, said products including a free PMC CINCINNATI, INC. 2003-05-06 US disclosed
US-6548707-B1 Deodorizing; heat and oxidation resistance; stabilizers ROHM AND HAAS COMPANY 2003-04-15 US disclosed
US-6537466-B1 Odor free heat stabilizers; also serve as intermediates for antioxidants, antimicrobial agents, photostabilizers, and primary heat stabilizers ROHM AND HAAS COMPANY 2003-03-25 US disclosed
US-20020068780-A1 LATENT MERCAPTANS AS MULTI-FUNCTIONAL ADDITIVES FOR HALOGEN-CONTAINING POLYMER COMPOSITIONS PMC CINCINNATI, INC. 2002-06-06 US disclosed
US-6326518-B1 HEAT STABILIZER MORTON INTERNATIONAL, INC. 2001-12-04 US disclosed