SCHEMBL999658

SCHEMBL999658

CC(C)C(C)(N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
KCNN4 O15554 3/20 0.48
TAAR1 Q96RJ0 2/20 0.44
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
SLC6A2 P23975 1/20 0.39
RIPK1 Q13546 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 1/20 0.38
KIF11 P52732 1/20 0.37

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
SCHEMBL1751596 0.83 MAPK1 (0.46) CYP1A2CYP2D6KCNN4TAAR1MAPK1
SCHEMBL13091889 0.83 CYP1A2 (0.50) CYP1A2CYP2D6KCNN4TAAR1MAPK1
Trifluoromethanesulfonic Acid SCHEMBL28497821 0.82 CYP1A2 (0.46) CYP1A2CYP2D6KCNN4MAPTKMT2A
SCHEMBL14944876 0.79 CYP1A2 (0.42) CYP1A2CYP2D6KCNN4TAAR1MAPK1
SCHEMBL3640366 0.79 TAAR1 (0.50) CYP1A2CYP2D6KCNN4TAAR1MAPK1
SCHEMBL608454 0.77 CYP2D6 (0.54) CYP1A2CYP2D6KCNN4TAAR1MAPK1
SCHEMBL6542251 0.77 CYP2D6 (0.54) CYP1A2CYP2D6KCNN4TAAR1MAPK1
SCHEMBL23264401 0.76 CYP1A2 (0.48) CYP1A2CYP2D6KCNN4TAAR1MAPK1
SCHEMBL11298732 0.76 CYP1A2 (0.39) CYP1A2CYP2D6KIF11
SCHEMBL9966490 0.76 CA1 (0.36) CYP1A2CYP2D6TAAR1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112262166-B Polyurethane foam-forming composition 速的奥公司 2023-04-04 CN claimed
EP-3774968-B1 POLYURETHANE FOAM FORMING COMPOSITIONS SOUDAL (BE) 2022-08-17 EP claimed
CN-107466322-B Mutant transaminases and methods and uses related thereto 豪夫迈·罗氏有限公司 2022-04-15 CN claimed
US-20220106430-A1 AMINE CATALYSTS FOR POLYURETHANE FOAMS HONEYWELL INTERNATIONAL INC. (US) 2022-04-07 US claimed
US-20210155740-A1 POLYURETHANE FOAM FORMING COMPOSITIONS SOUDAL (BE) 2021-05-27 US claimed
EP-3774968-A1 POLYURETHANE FOAM FORMING COMPOSITIONS SOUDAL (BE) 2021-02-17 EP claimed
EP-2809699-B1 IMPROVED SHELF LIFE OF POLYOL BLENDS CONTAINING HALOGENATED OLEFINS BY ENCAPSULATION OF ACTIVE COMPONENTS ARKEMA INC (US) 2020-04-08 EP claimed
US-20190315905-A1 AMINE CATALYSTS FOR POLYURETHANE FOAMS SOLSTICE ADVANCED MATERIALS US, INC. 2019-10-17 US claimed
WO-2019193178-A1 POLYURETHANE FOAM FORMING COMPOSITIONS SOUDAL (BE) 2019-10-10 WO claimed
EP-3549967-A1 POLYURETHANE FOAM FORMING COMPOSITIONS SOUDAL (BE) 2019-10-09 EP claimed
WO-2013116416-A1 IMPROVED SHELF LIFE OF POLYOL BLENDS CONTAINING HALOGENATED OLEFINS BY ENCAPSULATION OF ACTIVE COMPONENTS ARKEMA INC. (US) 2013-08-08 WO claimed
JP-2011500891-A 2011-01-06 JP claimed
JP-2011500893-A 2011-01-06 JP claimed
EP-2197935-A2 STABILIZATION OF POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS Honeywell International Inc. (US) 2010-06-23 EP claimed
EP-2197934-A2 NON-SILICONE SURFACTANTS FOR POLYURETHANE OR POLYISOCYANURATE FOAM CONTAINING HALOGENATED OLEFINS AS BLOWING AGENTS Honeywell International Inc. (US) 2010-06-23 EP claimed
US-20090099273-A1 NON-SILICONE SURFACTANTS FOR POLYURETHANE OR POLYISOCYANURATE FOAM CONTAINING HALOGENATED OLEFINS AS BLOWING AGENTS HONEYWELL INTERNATIONAL INC. 2009-04-16 US claimed
WO-2009048826-A2 STABILIZATION OF POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. (US) 2009-04-16 WO claimed
US-20090099272-A1 STABILIZATION OF POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS SOLSTICE ADVANCED MATERIALS US, INC. 2009-04-16 US claimed
WO-2009048802-A2 NON-SILICONE SURFACTANTS FOR POLYURETHANE OR POLYISOCYANURATE FOAM CONTAINING HALOGENATED OLEFINS AS BLOWING AGENTS HONEYWELL INTERNATIONAL INC. (US) 2009-04-16 WO claimed
US-20090099274-A1 AMINE CATALYSTS FOR POLYURETHANE FOAMS SOLSTICE ADVANCED MATERIALS US, INC. 2009-04-16 US claimed