SCHEMBL20202281

SCHEMBL20202281

C=C(C)C(=O)OC(CNC)CNC

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.35
KISS1R Q969F8 4/20 0.32
TGFBR1 P36897 1/20 0.31
ANPEP P15144 1/20 0.30

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
SCHEMBL20224592 0.94 ALDH1A1 (0.41) ALDH1A1TSHRTHRBKISS1R
SCHEMBL12358305 0.83 TSHR (0.44) ALDH1A1TSHRTHRBKISS1R
SCHEMBL20224599 0.83 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL5708448 0.82 ALDH1A1 (0.41) ALDH1A1TSHRTHRBKISS1R
SCHEMBL20458684 0.80 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL10077077 0.79 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL35385 0.77 TSHR (0.45) ALDH1A1TSHRTHRBTGFBR1
SCHEMBL440616 0.77 TSHR (0.45) ALDH1A1TSHRTHRB
SCHEMBL15032662 0.76 TSHR (0.37) ALDH1A1TSHRTHRBANPEP
SCHEMBL20202287 0.76 THRB (0.40) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180157174-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-06-07 US disclosed
US-20180149975-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed