SCHEMBL11102763

SCHEMBL11102763

C=CC(=O)OC12CC3CC(CC(C)(C3)C1(C)O)C2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL27719135 0.83
SCHEMBL5171193 0.79
SCHEMBL35446 0.77 SCN1A (0.32) TSHR
SCHEMBL27801254 0.75
SCHEMBL6536758 0.75 THRB (0.30)
SCHEMBL35447 0.74 SCN1A (0.32)
Acrylic Acid SCHEMBL11102783 0.73 LMNA (0.34)
SCHEMBL28205574 0.73 TSHR (0.33) TSHR
SCHEMBL28319503 0.73 TSHR (0.33) TSHR
SCHEMBL19789864 0.72 SCN1A (0.33)

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-0053621-B1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM BATTELLE MEMORIAL INSTITUTE (CH) 1984-07-25 EP claimed
EP-0053621-A1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM. BATTELLE MEMORIAL INSTITUTE (CH) 1982-06-16 EP claimed
WO-1981003657-A1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM BATTELLE MEMORIAL INSTITUTE (CH) 1981-12-24 WO claimed