SCHEMBL23569740

SCHEMBL23569740

C=CCCC1(CCC)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23555061 0.89 TSHR (0.33) TSHRALDH1A1
SCHEMBL13461228 0.83
SCHEMBL4018407 0.76
SCHEMBL24071253 0.74 TSHR (0.33) TSHRALDH1A1
SCHEMBL20279957 0.71
SCHEMBL20306257 0.71 EPHX1 (0.36)
SCHEMBL24911682 0.71
SCHEMBL23558531 0.70 TSHR (0.33) TSHRALDH1A1
SCHEMBL19202354 0.70
Dioxane SCHEMBL28100471 0.69 TSHR (0.67) TSHRALDH1A1

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
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed