SCHEMBL20633973

SCHEMBL20633973

C=C(CC)CCC1(CCC(=O)OC)OCC(C)(C)CO1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34

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
SCHEMBL20631940 0.89 TSHR (0.38) TSHR
SCHEMBL22036016 0.85 TSHR (0.34) TSHR
SCHEMBL21139410 0.79 TSHR (0.32) TSHR
SCHEMBL21996385 0.79 TSHR (0.38) TSHR
SCHEMBL18199948 0.77 TSHR (0.30) TSHR
SCHEMBL21954078 0.73 TSHR (0.32) TSHR
SCHEMBL8657754 0.71 TSHR (0.62) TSHR
SCHEMBL17089236 0.69 TSHR (0.43) TSHR
SCHEMBL9258518 0.69 TSHR (0.43) TSHR
SCHEMBL10088113 0.69 TSHR (0.46) TSHR

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
EP-4169924-A2 SYNTHESIS OF HALICHONDRINS President And Fellows Of Harvard College (US) 2023-04-26 EP disclosed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 EP disclosed
WO-2019010363-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-10 WO disclosed