SCHEMBL9875330

SCHEMBL9875330

CCC(C)C(C)(C)C.CCC(C)CC(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL27875477 0.84 LMNA (0.35)
SCHEMBL19068813 0.81 TSHR (0.35) TSHR
SCHEMBL11427882 0.81
SCHEMBL83131 0.81
SCHEMBL15142387 0.81
SCHEMBL132888 0.81
SCHEMBL15142221 0.81
SCHEMBL11419568 0.81
Ammonia Solution, Strong SCHEMBL1536861 0.78 TSHR (0.40) TSHR
Ammonia Solution, Strong SCHEMBL28370183 0.78

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-5049509-A Chromatographic analyzer SHELL OIL COMPANY (US) 1991-09-17 US disclosed