SCHEMBL8982011

SCHEMBL8982011

[Li]C(c1ccccc1)(c1ccccc1)C([Li])(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL296948 0.79 KCNN4 (0.47) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL3887243 0.76 KCNN4 (0.45) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL19457729 0.73 KCNN4 (0.43) KCNN4ALDH1A1TSHRMAPK1CYP1A2
Bromide SCHEMBL10962749 0.73 KCNN4 (0.43) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL17844155 0.73 MAPK1 (0.50) KCNN4ALDH1A1TSHRMAPK1TAAR1
SCHEMBL3082162 0.73 MAPK1 (0.50) KCNN4ALDH1A1TSHRMAPK1TAAR1
SCHEMBL50795 0.71 KCNN4 (0.41) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL230628 0.69 KCNN4 (0.53) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL8178 0.69 KCNN4 (0.53) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL1820058 0.69 KCNN4 (0.39) KCNN4ALDH1A1TSHRMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234512-B1 Crystaline block copolymer and process for producing the same ASAHI CHEMICAL IND (JP) 1996-05-22 EP disclosed
EP-0304088-B1 A PREPOLYMERIZATION PROCESS FOR PRODUCING A CONJUGATED DIENE COMPOUND PREPOLYMER SOLUTION Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-01-27 EP disclosed
US-5159022-A Butadiene-styrene block copolymer ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-10-27 US disclosed
US-5096970-A PREPOLYMERIZATION PROCESS FOR PRODUCING A CONJUGATED DIENE COMPOUND PREPOLYMER SOLUTION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-03-17 US disclosed
US-4931376-A HOMO-AND COPOLYMERIZATION, VULCANIZATION OF BUTADIENE; CO-CATALYSTS OF LANTHANUM AND CERIUM ACID SALTS, ORGANIC ALUMINUM, MAGNESIUM AND LITHIUM COMPONENTS; GOLF BALLS, WIGS, SPLINTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1990-06-05 US disclosed
EP-0304088-A1 A prepolymerization process for producing a conjugated diene compound prepolymer solution Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-02-22 EP disclosed
EP-0234512-A2 Crystaline block copolymer and process for producing the same Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-09-02 EP disclosed
US-4424322-A Process for producing polymers or copolymers of conjugated dienes ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-01-03 US disclosed
US-4413098-A USEFUL IN TIRES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-11-01 US disclosed