SCHEMBL21585530

SCHEMBL21585530

O=P(O)(O)Oc1ccc2cc(O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 5/20 0.55
▸ INPP5A Q14642 4/20 0.55
▸ SRC P12931 2/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.43
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ INPP5B P32019 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL21585528 0.96 INPPL1 (0.52) INPPL1INPP5ASRCCYP1A2GPR84
SCHEMBL8386637 0.89 INPPL1 (0.65) INPPL1INPP5ASRCCA1CA2
SCHEMBL29848582 0.82 GPR84 (0.63) INPPL1INPP5ASRCCYP1A2CA1
SCHEMBL2344043 0.82 GPR84 (0.63) INPPL1INPP5ASRCCYP1A2CA1
SCHEMBL131227 0.81 SRC (0.62) INPPL1INPP5ASRCCA1CA2
SCHEMBL2540592 0.80 GPR84 (0.61) INPPL1INPP5ASRCCYP1A2CA1
SCHEMBL842250 0.79 INPPL1 (0.59) INPPL1INPP5ASRCCA1CA2
SCHEMBL29167189 0.79 SRC (0.60) INPPL1INPP5ASRCCA1CA2
SCHEMBL28468891 0.79 SRC (0.60) INPPL1INPP5ASRCCA1CA2
SCHEMBL28420405 0.79 SRC (0.60) INPPL1INPP5ASRCCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623745-B Phosphorus-containing polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2020-03-06 — — CN claimed
WO-2019233085-A1 PHOSPHORUS-CONTAINING POLYCARBOXYLATE SUPERPLASTICIZER AND PREPARATION METHOD THEREFOR 科之杰新材料集团有限公司 (CN) 2019-12-12 — — WO claimed
CN-108623745-B Phosphorus-containing polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2020-03-06 — — CN disclosed
WO-2019233085-A1 PHOSPHORUS-CONTAINING POLYCARBOXYLATE SUPERPLASTICIZER AND PREPARATION METHOD THEREFOR 科之杰新材料集团有限公司 (CN) 2019-12-12 — — WO disclosed
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