SCHEMBL7160168

SCHEMBL7160168

[CH2]COC(=O)N(CC)OC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 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
SCHEMBL8679689 0.87 THRB (0.44) THRBTSHRALDH1A1KMT2A
SCHEMBL7156259 0.86 THRB (0.41) THRBTSHRALDH1A1KMT2A
SCHEMBL2955112 0.83 ALDH1A1 (0.37) THRBTSHRALDH1A1
SCHEMBL2480449 0.79 ALDH1A1 (0.39) THRBTSHRALDH1A1
SCHEMBL2946748 0.79 ALDH1A1 (0.39) THRBTSHRALDH1A1
SCHEMBL293594 0.79 ALDH1A1 (0.39) THRBTSHRALDH1A1
SCHEMBL20451478 0.78 TSHR (0.65) THRBTSHRALDH1A1
SCHEMBL8823536 0.76 ALDH1A1 (0.37) THRBTSHRALDH1A1
SCHEMBL2850493 0.74 TSHR (0.41) THRBTSHRALDH1A1
SCHEMBL9365022 0.74 TSHR (0.40) THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544720-B2 Containing phthalocyanine compound MITSUBISHI CHEMICAL CORPORATION (JP) 2003-04-08 US disclosed
US-20010007736-A1 Containing phthalocyanine compound MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-12 US disclosed
US-6232038-B1 UNSATURATED COMPOUND, SENSITIZER DYE AND PHOTOINITIATOR MITSUBISHI CHEMICAL CORPORATION (JP) 2001-05-15 US disclosed