SCHEMBL98143

SCHEMBL98143

N=C=O.N=C=O.c1ccc2c(c1)CCCC2

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
MAOB P27338 3/20 0.43
CYP2A6 P11509 2/20 0.43
MAOA P21397 2/20 0.43
HTR2C P28335 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
NOS3 P29474 1/20 0.38
CES1 P23141 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CDC25B P30305 1/20 0.36
PNMT P11086 1/20 0.36
CD44 P16070 1/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL6129144 1.00 TSHR (0.68) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL30096967 1.00 TSHR (0.68) TSHRMAOBCYP2A6MAOAHTR2C
Benzene SCHEMBL11162332 0.95 TSHR (0.62) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL9422216 0.95 TSHR (0.60) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL5046904 0.89 CYP2A6 (0.50) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL8355 0.83 TSHR (1.00) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL11645158 0.83 TSHR (1.00) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL11606739 0.83 TSHR (1.00) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL385555 0.83 TSHR (1.00) TSHRMAOBCYP2A6MAOAHTR2C
SCHEMBL29358070 0.83 TSHR (1.00) TSHRMAOBCYP2A6MAOAHTR2C

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

Appears in 3257 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139447-B2 Method for diisocyanate recovery from distillation residues with bitumen COVESTRO DEUTSCHLAND AG (DE) 2024-11-12 US claimed
CN-112384496-B Method for recovering diisocyanate from distillation residue 科思创德国股份有限公司 2024-02-02 CN claimed
EP-3622004-B1 ICI THICKENER COMPOSITION AND USES ELEMENTIS SPECIALTIES INC (US) 2023-11-08 EP claimed
US-11802213-B2 ICI thickener composition and uses ELEMENTIS SPECIALTIES, INC. (US) 2023-10-31 US claimed
CN-110719927-B ICI thickener composition and use 海名斯精细化工公司 2023-02-28 CN claimed
US-20230050973-A1 METHOD FOR RECOVERING DIISOCYANATES FROM DISTILLATION RESIDUES COVESTRO DEUTSCHLAND AG (DE) 2023-02-16 US claimed
US-20210284603-A1 METHOD FOR EXTRACTING DIISOCYANATES FROM DISTILLATION RESIDUES COVESTRO DEUTSCHLAND AG (DE) 2021-09-16 US claimed
US-20210276944-A1 METHOD FOR RECOVERING DIISOCYANATES FROM DISTILLATION RESIDUES COVESTRO DEUTSCHLAND AG (DE) 2021-09-09 US claimed
US-20210189154-A1 ICI THICKENER COMPOSITION AND USES ELEMENTIS SPECIALTIES, INC. (US) 2021-06-24 US claimed
CN-109836778-B Epoxy resin composition, preparation method and application thereof 金安国纪科技(杭州)有限公司 2021-05-28 CN claimed
WO-1995023818-A1 MAR AND SCUFF RESISTANT POLYURETHANE COMPOSITION REICHHOLD CHEMICALS, INC. (US) 1995-09-08 WO claimed
EP-0538694-A2 Polyurea or polyurea-urethane adhesive for bonding elastomers H.B. FULLER LICENSING & FINANCING, INC. (US) 1993-04-28 EP claimed
US-5183877-A For retread tires H. B. FULLER COMPANY (US) 1993-02-02 US claimed
EP-0393149-B1 VINYL ETHER TERMINATED ESTER AND URETHANE RESINS FROM BIS(HYDROXYALKYL)CYCLOALKANES AlliedSignal Inc. (US) 1992-12-09 EP claimed
EP-0350414-B1 THICKENER MODIFIER OF THE RHEOLOGICAL PROPERTIES OF CHARGED AND/OR PIGMENTED, WHITE OR COLOURED AQUEOUS COMPOSITIONS Société COATEX, Société Anonyme (FR) 1992-04-22 EP claimed
US-4988397-A Energetic binders for plastic bonded explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-01-29 US claimed
EP-0393149-A1 VINYL ETHER TERMINATED ESTER AND URETHANE RESINS FROM BIS(HYDROXYALKYL)CYCLOALKANES. ALLIED SIGNAL INC (US) 1990-10-24 EP claimed
WO-1989006228-A1 VINYL ETHER TERMINATED ESTER AND URETHANE RESINS FROM BIS(HYDROXYALKYL)CYCLOALKANES ALLIED-SIGNAL INC. (US) 1989-07-13 WO claimed
US-4775732-A HIGH SPEED CURING ALLIED-SIGNAL INC. (US) 1988-10-04 US claimed
US-4174307-A REACTION OF POLYISOCYANATES WITH UNSATURATED ACTIVE HYDROGEN-CONTAINING COMPOUNDS POLYCHROME CORPORATION (US) 1979-11-13 US claimed