SCHEMBL60697

SCHEMBL60697

C=C(CCC(C#N)CC)CC(C)C#N

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL10959155 0.76 TSHR (0.40) TSHR
SCHEMBL21218816 0.74 TSHR (0.33) TSHR
SCHEMBL59615 0.73 TSHR (0.38) TSHR
SCHEMBL8467848 0.72 TSHR (0.48) TSHR
SCHEMBL60294 0.72 TSHR (0.45) TSHR
SCHEMBL28670973 0.70 TSHR (0.46) TSHR
SCHEMBL11143865 0.70 TSHR (0.31) TSHR
SCHEMBL14434752 0.69 TSHR (0.39) TSHR
SCHEMBL15309950 0.68 TSHR (0.41) TSHR
SCHEMBL8095831 0.67 ALDH1A1 (0.38)

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 34 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-4302604-A BY STARTING AT A REDUCED PRESSURE AND INCREASING PRESSURE DURING HYDROGENATION PHILLIPS PETROLEUM COMPANY (US) 1981-11-24 US claimed
US-4152291-A FOR HYDROGENATION OF BRANCHED, OLEFINICALLY UNSATURATED, ALIPHATIC DINITRILE PHILLIPS PETROLEUM COMPANY (US) 1979-05-01 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
WO-2010090811-A1 PROCESS FOR HYDRODESULFURIZATION, HYDRODENITROGENATION, HYDROFINISHING, OR AMINE PRODUCTION H R D CORPORATION (US) 2010-08-12 WO disclosed
US-5874625-A Process to hydrogenate organic nitriles to primary amines HENKEL CORPORATION (US) 1999-02-23 US disclosed
WO-1998019991-A1 IMPROVED PROCESS TO HYDROGENATE ORGANIC NITRILES TO PRIMARY AMINES HENKEL CORPORATION (US) 1998-05-14 WO disclosed
US-4383940-A Catalysts for hydrogenation of unsaturated dinitriles PHILLIPS PETROLEUM COMPANY (US) 1983-05-17 US disclosed
US-4337177-A RUTHENIUM (COMPOUND), GRANULAR SUPPORT OF IRREGULAR SHAPE PHILLIPS PETROLEUM COMPANY (US) 1982-06-29 US disclosed
US-4172849-A HYDROGENATION OF UNSATURATED DINITRILES TO SATURATED DIAMINES PHILLIPS PETROLEUM COMPANY (US) 1979-10-30 US disclosed
US-4162223-A RUST INHIBITOR PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US disclosed
US-4152291-A FOR HYDROGENATION OF BRANCHED, OLEFINICALLY UNSATURATED, ALIPHATIC DINITRILE PHILLIPS PETROLEUM COMPANY (US) 1979-05-01 US disclosed
US-4143000-A POLYALKYLENE-POLYAMINE MIXTURE PHILLIPS PETROLEUM COMPANY (US) 1979-03-06 US disclosed
US-4130484-A Purification process PHILLIPS PETROLEUM COMPANY (US) 1978-12-19 US disclosed
US-4053515-A RUTHENIUM, NICKEL, COBALT, PALLADIUM, OR RHODIUM CATALYST PHILLIPS PETROLEUM COMPANY (US) 1977-10-11 US disclosed
US-4003933-A Hydrogenation of nitriles in absence of secondary reaction suppressant PHILLIPS PETROLEUM COMPANY (US) 1977-01-18 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