SCHEMBL31331654

SCHEMBL31331654

O=P(O)(CO)c1ccccc1.[Fe]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.67
▸ CA2 P00918 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ CA5A P35218 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALOX15 P16050 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PTPN2 P17706 3/20 0.44
▸ PTPN1 P18031 3/20 0.44
▸ PTPN4 P29074 3/20 0.44
▸ PTPN9 P43378 3/20 0.44
▸ PTPN11 Q06124 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL6549541 0.98 CFTR (0.70) CFTRCA2CA4CA5AALDH1A1
SCHEMBL28106722 0.98 CFTR (0.70) CFTRCA2CA4CA5AALDH1A1
SCHEMBL21642988 0.95 CFTR (0.67) CFTRCA2CA4CA5AALDH1A1
SCHEMBL28000766 0.87 CFTR (0.57) CFTRCA2CA4CA5AALDH1A1
SCHEMBL17537488 0.80 CFTR (0.73) CFTRCA2CA4CA5AALDH1A1
SCHEMBL806049 0.80 CFTR (1.00) CFTRCA2CA4CA5AALDH1A1
SCHEMBL17488976 0.80 CFTR (0.73) CFTRCA2CA4CA5AALDH1A1
SCHEMBL752882 0.79 CFTR (0.78) CFTRCA2CA4CA5AALDH1A1
Phosphine SCHEMBL27883782 0.77 CFTR (0.75) CFTRCA2CA4CA5AALDH1A1
SCHEMBL575313 0.76 CFTR (0.67) CFTRCA2CA4CA5AALDH1A1

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-119192231-A Hydroxyl-containing organic phosphonate and preparation method and application thereof 威海海润新材料科技有限公司 2024-12-27 — — CN disclosed
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