SCHEMBL28296899

SCHEMBL28296899

CCCn1cnc(C)c1.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.39
PLAA Q9Y263 1/20 0.39
QPCT Q16769 11/20 0.39
ALPG P10696 1/20 0.38
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
CPB2 Q96IY4 4/20 0.37
CPB1 P15086 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL28248677 0.98 ALPL (0.38) ALPLPLAAQPCTALPGKDM5A
SCHEMBL27953432 0.89 QPCT (0.42) ALPLPLAAQPCTCPB2CPB1
SCHEMBL25210345 0.84 CYP3A4 (0.42) ALPLPLAAQPCTALPGCPB2
SCHEMBL27815378 0.82 CYP3A4 (0.41) ALPLPLAAQPCTALPGCPB2
SCHEMBL634200 0.80 CYP1A2 (0.45) ALPLPLAAQPCTCPB2CPB1
Hydrochloric Acid SCHEMBL28293731 0.78 CYP1A2 (0.44) ALPLPLAAQPCTALPGCPB2
Iodide SCHEMBL28009205 0.78 CYP1A2 (0.44) ALPLPLAAQPCTCPB2CPB1
SCHEMBL8591843 0.78 TBXAS1 (0.44) ALPLPLAAQPCTCPB2CYP1A2
SCHEMBL31251980 0.77 QPCT (0.48) ALPLPLAAQPCTALPG
SCHEMBL1766186 0.77 TBXAS1 (0.47) QPCTCPB2CYP1A2CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107129654-B A kind of internal plasticization antistatic polyoxymethylene material and preparation method thereof 杭州师范大学 2019-06-18 CN disclosed
CN-109796723-A A kind of antistatic, rub resistance and wear-resistant polyformaldehyde material and preparation method thereof 杭州师范大学 2019-05-24 CN disclosed