SCHEMBL9068508

SCHEMBL9068508

CN(C)CCCCc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
HTR1A P08908 1/20 0.53
HTR2A P28223 2/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A4 P31645 2/20 0.49
MPO P05164 2/20 0.49
MGLL Q99685 1/20 0.49
TAAR1 Q96RJ0 4/20 0.48
HSPA5 P11021 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
SCHEMBL28838293 0.98 SIGMAR1 (0.56) SIGMAR1HTR1AHTR2AHTR2CHTR2B
SCHEMBL5134431 0.94 HTR2A (0.55) SIGMAR1HTR1AHTR2AHTR2CHTR2B
SCHEMBL36797 0.86 HTR2A (0.65) HTR1AHTR2AHTR2CHTR2BMPO
SCHEMBL9670821 0.86 SIGMAR1 (0.63) SIGMAR1HTR2ASLC6A4TAAR1
SCHEMBL3800530 0.83 TAAR1 (0.65) HTR1ASLC6A4MPOMGLLTAAR1
SCHEMBL29572132 0.82 HTR2A (0.49) SIGMAR1HTR1AHTR2AHTR2CHTR2B
SCHEMBL5983439 0.81 HTR1A (0.59) SIGMAR1HTR1ASLC6A4MPOMGLL
SCHEMBL8402231 0.81 MGLL (0.66) HTR1ASLC6A4MPOMGLLTAAR1
SCHEMBL8400524 0.81 MGLL (0.66) HTR1ASLC6A4MPOMGLLTAAR1
SCHEMBL8398317 0.81 MGLL (0.66) HTR1ASLC6A4MPOMGLLTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073940-A Production process flow for improving dispersion performance of pyrolysis carbon black for rubber 安徽固瑞特新材料科技有限公司 2022-09-20 CN disclosed
CN-101039973-A Reactivity drift and catalyst degradation in polyurethane foam FOAM SUPPLIES INC (US) 2007-09-19 CN disclosed
US-5563180-A REACTING POLYISOCYANATE, POLYESTERPOLYOL IN THE PRESENCE OF BLOWING AGENT AND CATALYST; CLOSED CELL RIGID FOAM THE CELOTEX CORPORATION (US) 1996-10-08 US disclosed
US-5470889-A Fire resistant roofing material THE CELOTEX CORPORATION (US) 1995-11-28 US disclosed
US-5405884-A Mixture of alkali or alkaline earth metal carboxylic salt, tertiary amine and quaternary ammonium carboxylic salt THE CELOTEX CORPORATION (US) 1995-04-11 US disclosed
US-5308883-A Rigid closed-cell foam from polyisocyanate and polyesterpolyol and blowing agent with catalyst THE CELOTEX CORPORATION (US) 1994-05-03 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-4126742-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4126741-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4006122-A STORAGE STABLE THE UPJOHN COMPANY (US) 1977-02-01 US disclosed