SCHEMBL9178351

SCHEMBL9178351

O=C(O)c1cc(O)cc(C(=O)O)c1.O=C(O)c1cc(O)cc(C(=O)O)c1.O=C(O)c1cc(O)cc(C(=O)O)c1.[NaH].[NaH].[NaH]

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.83
CA1 P00915 5/20 0.83
CA2 P00918 5/20 0.83
CA9 Q16790 5/20 0.83
CA7 P43166 4/20 0.83
CA14 Q9ULX7 4/20 0.83
HCAR1 Q9BXC0 3/20 0.65
CA6 P23280 4/20 0.55
CA5A P35218 4/20 0.55
CA3 P07451 3/20 0.55
CA4 P22748 3/20 0.55
CA5B Q9Y2D0 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL27882207 1.00 CA12 (0.83) CA12CA1CA2CA9CA7
SCHEMBL9178343 1.00 CA12 (0.83) CA12CA1CA2CA9CA7
SCHEMBL139644 0.97 CA12 (0.88) CA12CA1CA2CA9CA7
SCHEMBL31556276 0.94 CA12 (0.83) CA12CA1CA2CA9CA7
Methane SCHEMBL6131088 0.94 CA12 (0.83) CA12CA1CA2CA9CA7
SCHEMBL31556275 0.94 CA12 (0.83) CA12CA1CA2CA9CA7
Hydrochloric Acid SCHEMBL28553805 0.94 CA12 (0.83) CA12CA1CA2CA9CA7
3,5-Dihydroxybenzoic Acid SCHEMBL9693437 0.94 CA12 (0.94) CA12CA1CA2CA9CA7
SCHEMBL31390821 0.94 CA12 (0.83) CA12CA1CA2CA9CA7
Phloroglucinol SCHEMBL21465836 0.91 CA12 (0.88) CA12CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473459-B1 Reverse osmosis membranes of polyamideurethane DU PONT (US) 1995-07-26 EP disclosed
EP-0621256-A1 Chloroformyloxy-substituted isophthaloyl chlorides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-10-26 EP disclosed
US-5137606-A Forming chloroformyloxy-substituted isophthaloyl chloride; reacting hydroxy-substituted isophthalic acid, catlayst, phosgene, solvent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
EP-0473459-A2 Reverse osmosis membranes of polyamideurethane E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-04 EP disclosed
US-5085777-A Improved solute rejection and permeation properties E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-02-04 US disclosed