SCHEMBL27615448

SCHEMBL27615448

C=C(C)C(=O)OC(C(N)C(C)(C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9780975 0.78 TSHR (0.39) ALDH1A1TSHR
SCHEMBL8985948 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTDP1
SCHEMBL27291684 0.74 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL17300335 0.74 TSHR (0.39) ALDH1A1TSHR
SCHEMBL2897495 0.74 TSHR (0.40) ALDH1A1TSHR
SCHEMBL372920 0.73 ALDH1A1 (0.44) ALDH1A1TSHRTDP1
SCHEMBL4612526 0.72
SCHEMBL10549562 0.72 TSHR (0.37) ALDH1A1TSHRTDP1
Chloromethane SCHEMBL5583237 0.71 TSHR (0.43) ALDH1A1TSHRTDP1
SCHEMBL11437995 0.71 ALDH1A1 (0.42) ALDH1A1TSHRTDP1

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
CN-100408606-C Pigment compositions containing modified ATRP copolymer dispersants CIBA SC HOLDING AG (CH) 2008-08-06 CN claimed
CN-1639216-A Pigment compositions containing modified ATRP copolymer dispersants CIBA SC HOLDING AG (CH) 2005-07-13 CN claimed