SCHEMBL9418607

SCHEMBL9418607

[CH2]COCC(OOC(C)(C)C)OC(=O)C(=C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THRB P10828 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
SCHEMBL9055680 0.86 TSHR (0.32) TSHR
SCHEMBL7683777 0.82 THRB (0.39) TSHRTHRB
SCHEMBL464897 0.82 TSHR (0.39) TSHRTHRB
SCHEMBL10350319 0.78 TSHR (0.36) TSHR
SCHEMBL28358706 0.78 ALDH1A1 (0.35) TSHRTHRB
SCHEMBL2389528 0.77 TSHR (0.47) TSHRTHRB
SCHEMBL2389532 0.76 TSHR (0.46) TSHRTHRB
SCHEMBL10455045 0.75 TSHR (0.33) TSHRTHRB
SCHEMBL7591794 0.74 TSHR (0.48) TSHRTHRB
SCHEMBL7691665 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304039-B1 Thermoplastic resin composition. NIPPON PETROCHEMICALS CO LTD (JP) 1994-11-09 EP disclosed