Phosphoric Acid

Phosphoric Acid

SCHEMBL18641129

O=P(O)(O)O.Oc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc12

nearest known ligand 0.47

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 known ✓ P15538 4/20 0.47
▸ CYP11B2 P19099 4/20 0.47
▸ PTPN1 P18031 3/20 0.46
▸ P2RX1 P51575 1/20 0.44
▸ P2RX3 P56373 1/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ PTPN5 P54829 7/20 0.40
▸ NQO1 P15559 1/20 0.38
▸ SERPINE1 P05121 1/20 0.38
▸ PGK1 P00558 1/20 0.37
▸ PGK2 P07205 1/20 0.37
▸ ERN1 O75460 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
SCHEMBL29510228 0.93 CYP11B1 (0.49) CYP11B1CYP11B2PTPN1P2RX1P2RX3
SCHEMBL18665805 0.93 CYP11B1 (0.49) CYP11B1CYP11B2PTPN1P2RX1P2RX3
SCHEMBL30364453 0.90 CYP11B1 (0.47) CYP11B1CYP11B2PTPN1P2RX1P2RX3
SCHEMBL22229677 0.90 CYP11B1 (0.47) CYP11B1CYP11B2PTPN1P2RX1P2RX3
SCHEMBL18912212 0.85 CYP11B1 (0.44) CYP11B1CYP11B2P2RX1P2RX3P2RX4
SCHEMBL29805436 0.84 CYP11B1 (0.45) CYP11B1CYP11B2PTPN1P2RX1P2RX3
SCHEMBL3923123 0.84 CYP11B1 (0.45) CYP11B1CYP11B2PTPN1P2RX1P2RX3
SCHEMBL18665816 0.81 CYP11B1 (0.41) CYP11B1CYP11B2PTPN1P2RX1P2RX3
SCHEMBL16968699 0.81 PTPN1 (0.40) CYP11B1CYP11B2PTPN1P2RX1P2RX3
Phosphoric Acid SCHEMBL3921626 0.80 PTPN1 (0.47) CYP11B1CYP11B2PTPN1P2RX1P2RX3

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
EP-3350173-A1 STEREOSELECTIVE PROCESS Boehringer Ingelheim International GmbH (DE) 2018-07-25 — — EP disclosed
WO-2017046355-A1 STEREOSELECTIVE PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-23 — — WO disclosed
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