SCHEMBL7260802

SCHEMBL7260802

O=C(O)c1ccccc1P(c1ccccc1C(=O)O)c1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
ALOX15 P16050 1/20 0.62
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA4 P22748 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HMGB1 P09429 2/20 0.52
HPGD P15428 2/20 0.52
NAPRT Q6XQN6 2/20 0.52
CA6 P23280 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAPT P10636 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
POLB P06746 2/20 0.48
AKR1C3 P42330 1/20 0.48
NR4A1 P22736 1/20 0.46

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
SCHEMBL29908921 0.98 ALDH1A1 (0.59) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL29404318 0.89 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL7564286 0.89 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL989596 0.89 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
Ammonia Solution, Strong SCHEMBL31339444 0.87 ALDH1A1 (0.52) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL5597248 0.87 ALDH1A1 (0.52) ALDH1A1ALOX15CA12CA1CA2
Bromide SCHEMBL3660816 0.87 ALDH1A1 (0.52) ALDH1A1ALOX15CA12CA1CA2
Phosphine SCHEMBL22446073 0.87 ALDH1A1 (0.52) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL31553567 0.87 ALDH1A1 (0.52) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL28377295 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789551-A4 HAIR CARE PERMING AGENTS AND PROCESSES LAU JOHN R (US) 1998-12-02 EP claimed
EP-0789551-A1 HAIR CARE PERMING AGENTS AND PROCESSES LAU, John R. (US) 1997-08-20 EP claimed
WO-1997011672-A1 HAIR CARE PERMING AGENTS AND PROCESSES LAU JOHN R (US) 1997-04-03 WO claimed
US-5552297-A ANALYZING FOR LEAD IN BODY FLUIDS, BLOOD, REACTION OF AMINOLEVULINIC ACID TO FORM PORPHOBILINOGEN, COLORIMETRIC ABBOTT LABORATORIES (US) 1996-09-03 US claimed
WO-2003055887-A1 CONJUGATED PORPHYRIN, CHLORIN OR BACTERIOCHLORIN CHROMOPHORE WELLCOME TRUST LIMITED (GB) 2003-07-10 WO disclosed
EP-0697014-B2 PROCESS FOR THE PREPARATION OF A LINEAR ALDEHYDE ORGANIC COMPOUND DSM NV (NL) 2002-08-28 EP disclosed
EP-0789551-A4 HAIR CARE PERMING AGENTS AND PROCESSES LAU JOHN R (US) 1998-12-02 EP disclosed
US-5811589-A ISOMERIZING AN INTERNALLY UNSATURATED FUNCTIONALIZED ORGANIC COMPOUND TO A TERMINALLY UNSATURATED ONE; HYDROFORMYLATION IN THE PRESENCE OF CARBON MONOXIDE, HYDROGEN AND A CATALYST DSM N.V. (NL) 1998-09-22 US disclosed
EP-0697014-B1 PROCESS FOR THE PREPARATION OF A LINEAR ALDEHYDE ORGANIC COMPOUND DSM NV (NL) 1998-06-10 EP disclosed
EP-0789551-A1 HAIR CARE PERMING AGENTS AND PROCESSES LAU, John R. (US) 1997-08-20 EP disclosed
WO-1997011672-A1 HAIR CARE PERMING AGENTS AND PROCESSES LAU JOHN R (US) 1997-04-03 WO disclosed
EP-0697014-A1 PROCESS FOR THE PREPARATION OF A LINEAR ALDEHYDE ORGANIC COMPOUND DSM N.V. (NL) 1996-02-21 EP disclosed
WO-1994026688-A1 PROCESS FOR THE PREPARATION OF A LINEAR ALDEHYDE ORGANIC COMPOUND DSM N.V. (NL) 1994-11-24 WO disclosed
EP-0218100-B1 CONJUGATED ALKADIENE TELOMERIZATION TO ORGANO-OXYALKADIENES QUANTUM CHEMICAL CORPORATION (a Virginia corp.) (US) 1989-11-29 EP disclosed
EP-0218100-A1 Conjugated alkadiene telomerization to organo-oxyalkadienes QUANTUM CHEMICAL CORPORATION (a Virginia corp.) (US) 1987-04-15 EP disclosed