SCHEMBL8464730

SCHEMBL8464730

O=Ic1c(C(=O)O)cc(I)c(I)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
APP P05067 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPRA P18433 1/20 0.31
PTPRB P23467 1/20 0.31
PTPRE P23469 1/20 0.31
PTPN6 P29350 1/20 0.31

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
SCHEMBL8464592 0.85 TPMT (0.36) TPMTTP53TSHRMAPK1PTPRC
SCHEMBL8461032 0.85 TSHR (0.38) TPMTTP53TSHRMAPK1APP
SCHEMBL30539299 0.78 TPMT (0.48) TPMTTP53TSHRMAPK1APP
SCHEMBL2010693 0.78 TPMT (0.48) TPMTTP53TSHRMAPK1APP
Hydrochloric Acid SCHEMBL8379120 0.76 TPMT (0.46) TPMTTP53TSHRMAPK1APP
Hydrochloric Acid SCHEMBL8516696 0.76 TPMT (0.46) TPMTTP53TSHRMAPK1APP
SCHEMBL8463512 0.74 PTPRC (0.43) TPMTTP53TSHRAPPPTPRC
SCHEMBL31226172 0.74 TPMT (0.48) TPMTTP53TSHRMAPK1APP
SCHEMBL28133536 0.73 TPMT (0.43) TPMTTP53TSHRMAPK1
SCHEMBL8462757 0.73 MAOB (0.41) TPMTTP53TSHRAPPPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745326-B1 Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1999-09-22 EP disclosed
US-5594017-A WITH AN IODOSYL OR IODYL COMPOUND ROHM AND HAAS COMPANY (US) 1997-01-14 US disclosed
EP-0745326-A1 Stabilization of aqueous 3-isothiazolone solutions ROHM AND HAAS COMPANY (US) 1996-12-04 EP disclosed