SCHEMBL8936203

SCHEMBL8936203

C=C(CCC(=C)C(=O)N(C)C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL167050 0.80 TDP1 (0.44) TDP1
SCHEMBL407637 0.79 EGFR (0.31)
SCHEMBL10681875 0.79 ALDH1A1 (0.48)
SCHEMBL429458 0.76 ALDH1A1 (0.41)
Bicarbonate SCHEMBL9017536 0.76 EGFR (0.32)
Chloromethane SCHEMBL6934355 0.76 ALDH1A1 (0.31)
SCHEMBL93437 0.76 CYP1A2 (0.41)
SCHEMBL127475 0.74 TDP1 (0.38) TDP1
Trimethylammonium SCHEMBL421126 0.74 TDP1 (0.38) TDP1
Trimethylammonium SCHEMBL27847446 0.74 TDP1 (0.38) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510530-A WHEN POLYMERIZED GIVE OPTICALLY ACTIVE POLYMERS WHICH ARE USEFUL AS ADSORBENTS FOR CHROMATOGRAPHIC SEPARATION OF RACEMATES INTO ENANTIOMERS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5432251-A Acrylamide derivatives; use as polymeric adsorbent in separation of racemic mixtures into their optical antipodes BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed
US-5432252-A Acrylamide derivatives; use as polymeric adsorbent in separation of racemic mixtures into their optical antipodes BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed
US-5347042-A Optically active sulphur-containing amino acid derivatives, their preparation, their polymerisation to give optically active polymers and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 1994-09-13 US disclosed
US-5281750-A Deracemization and optical inversion using polymer supports RHONE-POULENC CHIMIE (FR) 1994-01-25 US disclosed