SCHEMBL9017260

SCHEMBL9017260

[Li]c1cc([Li])c2cc3cccc([Li])c3cc2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP1B1 Q16678 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 2/20 0.32
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11081181 0.86 ALDH1A1 (0.43) ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2
SCHEMBL31318311 0.79 ALDH1A1 (0.45) ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2
SCHEMBL3082156 0.79 ALDH1A1 (0.45) ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2
SCHEMBL139837 0.70 ALDH1A1 (0.44) ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2
SCHEMBL29658168 0.70 ALDH1A1 (0.44) ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2
SCHEMBL238050 0.66 ALDH1A1 (0.53) ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2
SCHEMBL29585978 0.66 ALDH1A1 (0.53) ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2
Phosphoric Acid SCHEMBL28139728 0.65 ALDH1A1 (0.41) ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2
Methane SCHEMBL5212093 0.64 ALDH1A1 (0.50) ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2
SCHEMBL1235563 0.64 CYP1A2 (0.48) ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4158098-A RANDOMIZER-INITIATOR-COMONOMER REACTION PRODUCT OF A HYDROCARBON LITHIUM COMPOUND AND A POLYALKOXY MONOVINYL AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1979-06-12 US claimed
US-3931107-A POLYALKOXY MONOVINYLAROMATIC COMPOUND IN COPOLYMERIZATION OF A CONJUGATED DIENE WITH A MONOVINYL-SUBSTITUTED AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1976-01-06 US claimed
EP-0666872-B1 PROCESS FOR PREPARING EPOXY-TERMINATED POLYMERS EASTMAN CHEM CO (US) 1996-12-27 EP disclosed
EP-0666872-A1 PROCESS FOR PREPARING EPOXY-TERMINATED POLYMERS. EASTMAN CHEM CO (US) 1995-08-16 EP disclosed
WO-1994010209-A1 PROCESS FOR PREPARING EPOXY-TERMINATED POLYMERS EASTMAN CHEMICAL COMPANY (US) 1994-05-11 WO disclosed
US-5266644-A Process for preparing epoxy-terminated polymers EASTMAN KODAK COMPANY (US) 1993-11-30 US disclosed
US-4603171-A ANTIONIC CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1986-07-29 US disclosed
US-4442265-A COPOLYMER OF LACTONE WITH VINYLARENE OR CONJUGATED DIENE, ACRYLIC POLYMER, COUMARONE-INDENE RESIN PHILLIPS PETROLEUM COMPANY (US) 1984-04-10 US disclosed
US-4393170-A COPOLYMER OF LACTONE WITH CONJUGATED DIENE OR VINYLARENE, COUMARONE-INDENE, ACRYLIC ESTER, STAR POLYMER PHILLIPS PETROLEUM COMPANY (US) 1983-07-12 US disclosed
US-4360643-A LITHIUM TERMINATED DIENE OR VINYLARENE POLYMER, HYDROLYSIS PHILLIPS PETROLEUM COMPANY (US) 1982-11-23 US disclosed
US-4302576-A BLOCK POLYMERS OF CONJUGATED DIENE OR AROMATIC VINYL COMPOUND; SYNTHETIC RUBBERS PHILLIPS PETROLEUM COMPANY (US) 1981-11-24 US disclosed
US-4179480-A Blends of cyclodiene-containing copolymers and block copolymers having improved high temperature green tensile strength PHILLIPS PETROLEUM COMPANY (US) 1979-12-18 US disclosed
US-4169115-A Preparation of block copolymers and products therefrom THE DOW CHEMICAL COMPANY (US) 1979-09-25 US disclosed
US-4163765-A VINYLARENE-CONJUGATED DIENE BLOCK COPOLYMER PHILLIPS PETROLEUM COMPANY (US) 1979-08-07 US disclosed
US-4158098-A RANDOMIZER-INITIATOR-COMONOMER REACTION PRODUCT OF A HYDROCARBON LITHIUM COMPOUND AND A POLYALKOXY MONOVINYL AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1979-06-12 US disclosed
US-4138536-A ORGANOLITHIUM INITIATORS PHILLIPS PETROLEUM COMPANY (US) 1979-02-06 US disclosed
US-4131653-A COPOLYMER OF A 1,3-CYCLODIENE AND AN ACYCLIC CONJUGATED DIENE PHILLIPS PETROLEUM COMPANY (US) 1978-12-26 US disclosed
US-3970607-A LITHIUM CATALYST THE FIRESTONE TIRE & RUBBER COMPANY (US) 1976-07-20 US disclosed
US-3931107-A POLYALKOXY MONOVINYLAROMATIC COMPOUND IN COPOLYMERIZATION OF A CONJUGATED DIENE WITH A MONOVINYL-SUBSTITUTED AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1976-01-06 US disclosed
US-3931126-A MODIFICATION OF CONJUGATED DIENE POLYMERS BY TREATMENT WITH ORGANOLITHIUM AND N,N,N',N'-TETRAMETHYLALKYLENEDIAMINE COMPOUNDS PHILLIPS PETROLEUM COMPANY (US) 1976-01-06 US disclosed