SCHEMBL60530

SCHEMBL60530

C/C(=C\C(C)C#N)CC(C)C#N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL60531 1.00 TSHR (0.33) TSHR
SCHEMBL11852299 0.72 TSHR (0.32) TSHR
SCHEMBL10957696 0.71 TSHR (0.35) TSHR
SCHEMBL11057155 0.71 TSHR (0.35) TSHR
SCHEMBL20008199 0.71 TSHR (0.31) TSHR
SCHEMBL28269088 0.71
SCHEMBL10961358 0.69 TSHR (0.43) TSHR
SCHEMBL10961361 0.69 TSHR (0.43) TSHR
SCHEMBL9735218 0.67
SCHEMBL10959663 0.67

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 68 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-4311859-A FORMATION OF DIAMINES, RHODIUM CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1982-01-19 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-4259262-A TO SATURATED DIAMINES USING RUTHENIUM ON GRANULAR SUPPORT IN PRESENCE OF AMMONIA PHILLIPS PETROLEUM COMPANY (US) 1981-03-31 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-4216169-A WITH PALLADIUM AND COBALT CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1980-08-05 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-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
US-8128808-B2 Process for hydrodesulfurization, hydrodenitrogenation, hydrofinishing, or amine production H R D CORPORATION (US) 2012-03-06 US disclosed
EP-2379678-A1 PROCESS FOR HYDRODESULFURIZATION, HYDRODENITROGENATION, HYDROFINISHING, OR AMINE PRODUCTION H R D Corporation (US) 2011-10-26 EP disclosed
US-20100294699-A1 PROCESS FOR HYDRODESULFURIZATION, HYDRODENITROGENATION, HYDROFINISHING, OR AMINE PRODUCTION H R D CORPORATION (US) 2010-11-25 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