SCHEMBL9595178

SCHEMBL9595178

C=C[C@@H]1OC[C@@H](C)C[C@H]1O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL9593013 1.00 TDP1 (0.32) TDP1
SCHEMBL9593011 1.00 TDP1 (0.32) TDP1
SCHEMBL20138869 0.77
SCHEMBL27430347 0.70
SCHEMBL12287065 0.70
SCHEMBL20925405 0.70
SCHEMBL9594485 0.70 TSHR (0.33)
SCHEMBL9595238 0.70 TSHR (0.33)
SCHEMBL17685112 0.69
SCHEMBL22436892 0.69

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-5266593-A Substituted pyran derivatives having antiinfective activity E. R. SQUIBB & SONS, INC. (US) 1993-11-30 US disclosed