SCHEMBL3978129

SCHEMBL3978129

CC(C)(CN)c1cc(C(C)(C)CN)c(S)c(C(C)(C)CN)c1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL634193 0.78 TAAR1 (0.45) TAAR1
SCHEMBL5983215 0.78 TAAR1 (0.45) TAAR1
SCHEMBL8348961 0.72 CA2 (0.52) TAAR1
SCHEMBL439669 0.71 TAAR1 (0.47) TAAR1
SCHEMBL11746396 0.70 TAAR1 (0.37) TAAR1
SCHEMBL5983335 0.69 TAAR1 (0.45) TAAR1
SCHEMBL6562809 0.68 TAAR1 (0.75) TAAR1
SCHEMBL23472948 0.67 CYP1A2 (0.35)
SCHEMBL5982897 0.67
Hydrochloric Acid SCHEMBL6563360 0.66 TAAR1 (0.71) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385177-B2 Reactivity drift and catalyst degradation in polyurethane foam FOAM SUPPLIES, INC. (US) 2019-08-20 US disclosed
EP-1773902-A4 REACTIVITY DRIFT AND CATALYST DEGRADATION IN POLYURETHANE FOAM FOAM SUPPLIES INC (US) 2009-05-06 EP disclosed
EP-1773902-A2 REACTIVITY DRIFT AND CATALYST DEGRADATION IN POLYURETHANE FOAM Foam Supplies, Inc. (US) 2007-04-18 EP disclosed
WO-2006017433-A2 REACTIVITY DRIFT AND CATALYST DEGRADATION IN POLYURETHANE FOAM FOAM SUPPLIES, INC. (US) 2006-02-16 WO disclosed
US-20060030633-A1 Reactivity drift and catalyst degradation in polyurethane foam FOAM SUPPLIES, INC. 2006-02-09 US disclosed
US-4766158-A CATALYTIC REACTION OF POLYISOCYANATES AND POLYEPOXIDE OLIN CORPORATION (US) 1988-08-23 US disclosed
US-4699931-A REACTING POLYISOCYANATE WITH POLYEPOXIDE-THERMAL STABILITY OLIN CORPORATION (US) 1987-10-13 US disclosed
US-4699932-A UREA-AND WATER-FREE OLIN CORPORATION (US) 1987-10-13 US disclosed
US-4221877-A Modified diphenylmethane diisocyanates useful in polyurethanes or polyisocyanurates TEXACO DEVELOPMENT CORP. (US) 1980-09-09 US disclosed
US-4126741-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4126742-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 US disclosed