SCHEMBL31671111

SCHEMBL31671111

CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.[Tm]

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 2/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL29814915 1.00 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL13725734 0.97 TSHR (0.38) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL5535228 0.97 TSHR (0.38) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL13725736 0.97 TSHR (0.38) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31099433 0.94 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31369145 0.94 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31498491 0.94 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31663664 0.94 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL21410657 0.94 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10
SCHEMBL31462151 0.94 TSHR (0.37) TSHRNPC1MAPK1RAB9AHSD17B10

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
US-20250253067-A1 SEMICONDUCTOR BETAVOLTAIC BATTERY WITH INTEGRATED BETA EMITTER THE CURATORS OF THE UNIVERSITY OF MISSOURI 2025-08-07 US disclosed