SCHEMBL28354526

SCHEMBL28354526

O=P1(c2ccc(F)cc2)OCCO1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
AKR1C3 P42330 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
SCHEMBL31529588 0.78 ALDH1A1 (0.34)
SCHEMBL787102 0.76 HPGD (0.36) HPGDSMN1; SMN2
SCHEMBL3453682 0.68 HPGD (0.34) HPGD
Fluoride SCHEMBL21816906 0.64 CA1 (0.57) CES2CES1ORAI1ORAI2ORAI3
SCHEMBL13499 0.60
Hydrochloric Acid SCHEMBL894109 0.60 HTR7 (0.34)
Formaldehyde SCHEMBL27657862 0.58 CA1 (0.50) CES2CES1ORAI1ORAI2ORAI3
Formaldehyde SCHEMBL27262524 0.58 CA1 (0.50) CES2CES1ORAI1ORAI2ORAI3
Fluoride SCHEMBL25295435 0.57 ACHE (0.50) CES2CES1ORAI1ORAI2ORAI3
SCHEMBL6560890 0.57

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
CN-110590848-A Flame-retardant additive and preparation method and application thereof 恒大新能源科技集团有限公司 2019-12-20 CN disclosed