SCHEMBL7827428

SCHEMBL7827428

O=C(O)/C(Br)=C/C=C(Cl)Cl

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL7827430 1.00 TSHR (0.30) TSHRCASP1
SCHEMBL1519050 0.72 PTGS1 (0.44) TSHR
SCHEMBL27811433 0.71
SCHEMBL8582761 0.70 ALDH1A1 (0.32)
SCHEMBL8582762 0.70 ALDH1A1 (0.32)
SCHEMBL28519075 0.69
SCHEMBL31458650 0.67
SCHEMBL4863349 0.65
SCHEMBL4863353 0.65
SCHEMBL28283663 0.65 TSHR (0.40) TSHR

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5708168-A FOR TREATING OR PREVENTING NEURONAL LOSS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1998-01-13 US disclosed
WO-1996015112-A1 AZEPINE SYNTHESIS VIA A DIELS-ALDER REACTION ACEA PHARMACEUTICALS, INC. (US) 1996-05-23 WO disclosed
US-5476933-A Condensation, ring expansion STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1995-12-19 US disclosed