SCHEMBL4037645

SCHEMBL4037645

C=C(C)C(=O)NC(C)CN(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.46
KDM1A O60341 1/20 0.35
HDAC4 P56524 11/20 0.35
RXFP1 Q9HBX9 1/20 0.34
HDAC1 Q13547 1/20 0.33
TSHR P16473 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL13136108 0.80 ACACB (0.39) KDM1AHDAC4ALDH1A1
SCHEMBL24459288 0.80 ACACB (0.39) KDM1AHDAC4ALDH1A1
SCHEMBL8974574 0.80 TGFBR1 (0.43) TGFBR1RXFP1TSHRALDH1A1
Trimethylammonium SCHEMBL28073605 0.79 TGFBR1 (0.42) TGFBR1RXFP1
SCHEMBL554944 0.78 TGFBR1 (0.48) TGFBR1RXFP1TSHRALDH1A1
SCHEMBL18641077 0.78 TGFBR1 (0.48) TGFBR1RXFP1TSHRALDH1A1
SCHEMBL9193899 0.78 TGFBR1 (0.59) TGFBR1HDAC4RXFP1TSHRHDAC6
SCHEMBL11189736 0.77 TGFBR1 (0.49) TGFBR1
Propane SCHEMBL28191962 0.77 TGFBR1 (0.41) TGFBR1RXFP1
SCHEMBL22768287 0.77 TGFBR1 (0.47) TGFBR1RXFP1TSHRALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294691-A Absorbing an aqueous soution of the copolymer having amide, nitrile, carboxylic acid or sulfonic acid functionalities PHILLIPS PETROLEUM COMPANY (US) 1994-03-15 US claimed
US-7482417-B2 Papermaking chemical, method for manufacturing same, and paper containing same SEIKO PMC CORPORATION (JP) 2009-01-27 US disclosed
CN-100334122-C (meth)acrylamide polymer, process for production thereof, paper making chemicals, papers containing the same NIPPON PMC K K (JP) 2007-08-29 CN disclosed
US-20050272889-A1 Papermaking chemical, method for manufacturing same, and paper containing same SEIKO PMC CORPORATION (JP) 2005-12-08 US disclosed
CN-1636026-A (meth) acrylamide polymer, method for producing same, chemical for papermaking, and paper containing same NIPPON PMC K K (JP) 2005-07-06 CN disclosed
US-5484865-A Copolymers of ampholytic ion pairs containing vinylic tertiary amine PHILLIPS PETROLEUM COMPANY (US) 1996-01-16 US disclosed
US-5484865-A Copolymers of ampholytic ion pairs containing vinylic tertiary amine PHILLIPS PETROLEUM COMPANY (US) 1996-01-16 US disclosed
US-5294691-A Absorbing an aqueous soution of the copolymer having amide, nitrile, carboxylic acid or sulfonic acid functionalities PHILLIPS PETROLEUM COMPANY (US) 1994-03-15 US disclosed
US-5294691-A Absorbing an aqueous soution of the copolymer having amide, nitrile, carboxylic acid or sulfonic acid functionalities PHILLIPS PETROLEUM COMPANY (US) 1994-03-15 US disclosed
US-5250642-A High absorbency to aqueous electrolyte solutions PHILLIPS PETROLEUM COMPANY (US) 1993-10-05 US disclosed
US-5250642-A High absorbency to aqueous electrolyte solutions PHILLIPS PETROLEUM COMPANY (US) 1993-10-05 US disclosed