SCHEMBL60573

SCHEMBL60573

CC(=CCCC#N)CCCC#N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 6/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.37
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
UGT1A1 P22309 1/20 0.34
PTPN1 P18031 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 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
SCHEMBL60572 1.00 SQLE (0.39) SQLEKMT2ATSHRKDM1AALDH1A1
SCHEMBL11216412 0.94 SQLE (0.41) SQLEKMT2ATSHRKDM1AALDH1A1
SCHEMBL11216409 0.94 SQLE (0.41) SQLEKMT2ATSHRKDM1AALDH1A1
SCHEMBL6708866 0.84 TSHR (0.41) SQLEKMT2ATSHRMAPTMEN1
SCHEMBL6708870 0.84 TSHR (0.41) SQLEKMT2ATSHRMAPTMEN1
SCHEMBL60785 0.83 SQLE (0.40) SQLEKMT2ATSHRKDM1A
SCHEMBL60784 0.83 SQLE (0.40) SQLEKMT2ATSHRKDM1A
SCHEMBL59711 0.83 SQLE (0.40) SQLEKMT2ATSHRKDM1A
SCHEMBL8442430 0.83 SQLE (0.40) SQLEKMT2ATSHRKDM1A
SCHEMBL8442433 0.83 SQLE (0.40) SQLEKMT2ATSHRKDM1A

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 78 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-4288626-A CATALYTIC, PRETREATMENT OF FEED WITH CRYSTALLINE ZEOLITE PHILLIPS PETROLEUM COMPANY (US) 1981-09-08 US claimed
US-4261927-A PLLADIUM OR RUTHENIUM CATALYST, METAL NITRATE PROMOTER PHILLIPS PETROLEUM COMPANY (US) 1981-04-14 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-4226809-A ONE- OR TWO-STEP PROCESS FOR PREPARING SATURATED DIAMINES PHILLIPS PETROLEUM COMPANY (US) 1980-10-07 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-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-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
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