SCHEMBL28079964

SCHEMBL28079964

CC(C)c1c[nH]c(C(C)C)n1.[Pd]

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL786437 0.98 NOS3 (0.31) NOS3NOS1NOS2
Ammonia Solution, Strong SCHEMBL28135320 0.95 NOS3 (0.30) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL28150542 0.95 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL18827277 0.82
SCHEMBL20998283 0.82
SCHEMBL10363731 0.82
SCHEMBL24792374 0.79
SCHEMBL27831991 0.79
SCHEMBL10528473 0.76 SCN10A (0.30)
SCHEMBL23890498 0.76

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
CN-103387512-B A kind of Preparation Method And Their Intermediate of minocycline 成都睿智化学研究有限公司 2016-08-31 CN claimed
CN-107200739-A A kind of gynecological tumor compound and its preparation method and application 刘卿 2017-09-26 CN disclosed
CN-103387512-B A kind of Preparation Method And Their Intermediate of minocycline 成都睿智化学研究有限公司 2016-08-31 CN disclosed