SCHEMBL60459

SCHEMBL60459

C=C(CCCC#N)CCCC#N

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL11292505 0.95 TSHR (0.38) TSHRALDH1A1TDP1
SCHEMBL60457 0.92 TSHR (0.39) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL11292024 0.89 TSHR (0.38) TSHRALDH1A1TDP1MAPT
SCHEMBL59073 0.89 TSHR (0.38) TSHRALDH1A1TDP1MAPT
SCHEMBL60456 0.89 TSHR (0.38) TSHRALDH1A1TDP1MAPT
SCHEMBL59421 0.89 TSHR (0.38) TSHRALDH1A1TDP1MAPT
SCHEMBL59578 0.89 TSHR (0.38) TSHRALDH1A1TDP1MAPT
SCHEMBL503925 0.82 TSHR (0.41) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL59407 0.81 ALDH1A1 (0.44) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL11075223 0.79 TSHR (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874625-A Process to hydrogenate organic nitriles to primary amines HENKEL CORPORATION (US) 1999-02-23 US claimed
WO-1998019991-A1 IMPROVED PROCESS TO HYDROGENATE ORGANIC NITRILES TO PRIMARY AMINES HENKEL CORPORATION (US) 1998-05-14 WO claimed
US-4324738-A Dinitriles and their preparation PHILLIPS PETROLEUM COMPANY (US) 1982-04-13 US claimed
US-4302604-A BY STARTING AT A REDUCED PRESSURE AND INCREASING PRESSURE DURING HYDROGENATION PHILLIPS PETROLEUM COMPANY (US) 1981-11-24 US claimed
US-4243610-A Cobalt-gold promoter for ruthenium hydrogenation catalyst as in hydrogenation of unsaturated dinitriles PHILLIPS PETROLEUM COMPANY (US) 1981-01-06 US claimed
US-4235808-A CATALYTIC HYDROGENATION TO SATURATED DIAMINE PHILLIPS PETROLEUM COMPANY (US) 1980-11-25 US claimed
US-4226809-A ONE- OR TWO-STEP PROCESS FOR PREPARING SATURATED DIAMINES PHILLIPS PETROLEUM COMPANY (US) 1980-10-07 US claimed
US-4201632-A Separation of phenol-, cyclohexanone-, and cyclohexylbenzene-containing mixtures employing a nitrile as extraction distillation solvent PHILLIPS PETROLEUM COMPANY (US) 1980-05-06 US claimed
US-4172849-A HYDROGENATION OF UNSATURATED DINITRILES TO SATURATED DIAMINES PHILLIPS PETROLEUM COMPANY (US) 1979-10-30 US claimed
US-4152351-A USING MANAGANESE OR LANTHANIDE ADJUVANTS ON CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1979-05-01 US claimed
US-4152291-A FOR HYDROGENATION OF BRANCHED, OLEFINICALLY UNSATURATED, ALIPHATIC DINITRILE PHILLIPS PETROLEUM COMPANY (US) 1979-05-01 US claimed
US-4136077-A REACTION PRODUCT OF OLEFINICALLY-UNSATURATED NITRILE AND A MONOOLEFINIC HYDROCARBON AS PLASTICIZER FOR CONJUGATED DIENE-UNSATURATED NITRILE RUBBER PHILLIPS PETROLEUM COMPANY (US) 1979-01-23 US claimed
US-4053515-A RUTHENIUM, NICKEL, COBALT, PALLADIUM, OR RHODIUM CATALYST PHILLIPS PETROLEUM COMPANY (US) 1977-10-11 US claimed
US-3996239-A Conversion of aliphatic nitriles to carboxylic acids using cyclic acid anhydrides PHILLIPS PETROLEUM COMPANY (US) 1976-12-07 US claimed
US-3962337-A Hydrogenation of unsaturated dinitriles for employing palladium and ruthenium catalyst in aqueous tertiary alkanol PHILLIPS PETROLEUM COMPANY (US) 1976-06-08 US claimed
EP-4220805-A2 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, AND ELECTRONIC DEVICE Ningde Amperex Technology Limited (CN) 2023-08-02 EP disclosed
US-20230231196-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, AND ELECTRONIC DEVICE NINGDE AMPEREX TECHNOLOGY LIMITED (CN) 2023-07-20 US disclosed
US-3985786-A REACTING AN OLEFINICALLY UNSATURATED NITRILE, AN OLEFINIC HYDROCARBON AND THEIR MONOADDUCT IN WATER PHILLIPS PETROLEUM COMPANY (US) 1976-10-12 US disclosed
US-3980621-A Polyamides of terephthalic acid and 5-methyl-1,9-nonanediamine and fibers thereof PHILLIPS PETROLEUM COMPANY (US) 1976-09-14 US disclosed
US-3962337-A Hydrogenation of unsaturated dinitriles for employing palladium and ruthenium catalyst in aqueous tertiary alkanol PHILLIPS PETROLEUM COMPANY (US) 1976-06-08 US disclosed