SCHEMBL1449865

SCHEMBL1449865

CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].[Bi+3]

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

HRH2

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 4/20 0.52
TSHR P16473 4/20 0.52
CA2 P00918 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6064041 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL362089 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
Lithium Ion SCHEMBL1461667 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9417628 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL673226 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9417629 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
Potassium Ion SCHEMBL3291106 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
Zinc Ion SCHEMBL768293 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1025105 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL15462 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090003742-A1 Grease Composition For Hub Unit Bearing, And Hub Unit Bearing For Vehicle NSK LTD. (JP) 2009-01-01 US claimed
US-20080196995-A1 Grease Composition, Grease-Enclosed Bearing, and Rotation-Transmitting Apparatus With Built-In One Way Clutch NTN CORPORATION (JP) 2008-08-21 US claimed
EP-1847586-A1 GREASE COMPOSITION FOR HUB UNIT BEARING, AND HUB UNIT BEARING FOR VEHICLES NSK Ltd., (JP) 2007-10-24 EP claimed
US-20230250218-A1 URETHANE COMPOSITION NITTO KASEI CO., LTD. (JP) 2023-08-10 US disclosed
EP-4198068-A1 URETHANE COMPOSITION Nitto Kasei Co., Ltd. (JP) 2023-06-21 EP disclosed
US-20220180773-A1 PEELING DETECTION LABEL LINTEC CORPORATION (JP) 2022-06-09 US disclosed
EP-3950330-A1 PEELING DETECTION LABEL LINTEC CORPORATION (JP) 2022-02-09 EP disclosed
WO-2021255958-A1 FOAM COMPOSITION FOR FLAME-RETARDANT POLYISOCYANURATE FOAM AND METHOD FOR PRODUCING FLAME-RETARDANT POLYISOCYANURATE FOAM USING SAID FOAM 旭有機材株式会社 2021-12-23 WO disclosed
US-20210309888-A1 BRITTLE ADHESIVE SHEET AND BRITTLE ADHESIVE SHEET PRODUCTION METHOD LINTEC CORPORATION (JP) 2021-10-07 US disclosed
EP-3822956-A1 PEEL-OFF DETECTION LABEL LINTEC CORPORATION (JP) 2021-05-19 EP disclosed
EP-3822955-A1 PEEL-OFF DETECTION LABEL LINTEC CORPORATION (JP) 2021-05-19 EP disclosed
EP-2368927-A1 FOAMABLE COMPOSITION FOR POLYURETHANE FOAM, AND POLYURETHANE FOAM Asahi Organic Chemicals Industry Co., Ltd. (JP) 2011-09-28 EP disclosed
US-20110201705-A1 FOAMABLE COMPOSITION FOR POLYURETHANE FOAM AND POLYURETHANE FOAM ASAHI ORGANIC CHEMICALS INDUSTRY CO., LTD. (JP) 2011-08-18 US disclosed
US-20110184081-A1 FOAMABLE COMPOSITION FOR POLYURETHANE FOAM AND POLYURETHANE FOAM ASAHI ORGANIC CHEMICALS INDUSTRY CO., LTD. (JP) 2011-07-28 US disclosed
EP-2345680-A1 EXPANDABLE COMPOSITION FOR POLYURETHANE FOAM, AND POLYURETHANE FOAM Asahi Organic Chemicals Industry Co., Ltd. (JP) 2011-07-20 EP disclosed
US-7910525-B2 Grease composition, grease-enclosed bearing, and rotation-transmitting apparatus with built-in one way clutch NTN CORPORATION (JP) 2011-03-22 US disclosed
US-20090116132-A1 ADHESIVE COMPOSITION FOR OPTICAL FILTER, OPTICAL FILTER AND DISPLAY DEVICE DAI NIPPON PRINTING CO., LTD. (JP) 2009-05-07 US disclosed
US-20090003742-A1 Grease Composition For Hub Unit Bearing, And Hub Unit Bearing For Vehicle NSK LTD. (JP) 2009-01-01 US disclosed
US-20080196995-A1 Grease Composition, Grease-Enclosed Bearing, and Rotation-Transmitting Apparatus With Built-In One Way Clutch NTN CORPORATION (JP) 2008-08-21 US disclosed
EP-1847586-A1 GREASE COMPOSITION FOR HUB UNIT BEARING, AND HUB UNIT BEARING FOR VEHICLES NSK Ltd., (JP) 2007-10-24 EP disclosed