SCHEMBL5983335

SCHEMBL5983335

CC(C)(CN)c1ccc(O)c(C(C)(C)CN)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 7/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
MIF P14174 1/20 0.39
TYR P14679 1/20 0.39
HTT P42858 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL12374570 0.81 ALDH1A1 (0.45) TAAR1ALDH1A1MEN1GAAMAPT
SCHEMBL29481306 0.78 MAPK1 (0.48) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL439669 0.78 TAAR1 (0.47) TAAR1ESR1ESR2ARCNR1
SCHEMBL80891 0.78 MAPK1 (0.48) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL12374528 0.78 ALDH1A1 (0.37) TAAR1ALDH1A1MEN1GAAMAPT
SCHEMBL634193 0.78 TAAR1 (0.45) TAAR1ALDH1A1MEN1GAAMAPT
SCHEMBL768277 0.77 SHBG (0.57) ALDH1A1MEN1GAAMAPTPKM
Hydrochloric Acid SCHEMBL7076597 0.77 MAPK1 (0.47) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL5983215 0.77 TAAR1 (0.45) TAAR1
SCHEMBL27800149 0.77 TSHR (0.53) TAAR1ALDH1A1MEN1GAAKMT2A

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 17 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
US-20060030633-A1 Reactivity drift and catalyst degradation in polyurethane foam FOAM SUPPLIES, INC. 2006-02-09 US disclosed
US-5585412-A REACTING POLYOL, ISOCYANATE, WATER, ENCAPSULATED BLOWING AGENT, RUPTURING SHELL OF BLOWING AGENT OLIN CORPORATION (US) 1996-12-17 US disclosed
US-5328938-A Monochlorodifluoromethane as foaming agents for closed cell or semi-rigid foams BASF CORPORATION (US) 1994-07-12 US disclosed
US-5264464-A Chlorodifluoromethane BASF CORPORATION (US) 1993-11-23 US disclosed
US-5183583-A Acid blocked amine catalyst BASF CORPORATION (US) 1993-02-02 US disclosed
WO-1992019670-A1 ON-SITE GENERATION OF POLYURETHANE FOAM USING AN HCFC AS A SOLE BLOWING AGENT OLIN CORPORATION (US) 1992-11-12 WO disclosed
US-5114984-A Dissolving pyrithione salt in alkanolamine; polymerization of polyol and polyisocyanate OLIN CORPORATION (US) 1992-05-19 US disclosed
US-5112878-A Free of CFC blowing agents OLIN CORPORATION (US) 1992-05-12 US disclosed
US-4766158-A CATALYTIC REACTION OF POLYISOCYANATES AND POLYEPOXIDE OLIN CORPORATION (US) 1988-08-23 US disclosed
EP-0254097-A2 Catalyst mixtures for polyisocyanurate foam THE CELOTEX CORPORATION (US) 1988-01-27 EP disclosed
US-4710521-A SALT OF CARBOXYLIC ACIDS AND TERTIARY AMINES THE CELOTEX CORPORATION (US) 1987-12-01 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