SCHEMBL5267356

SCHEMBL5267356

O=C(Cl)CBr.O=C(Cl)CCl

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 2/20 0.33
TP53 P04637 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
Methylene Chloride SCHEMBL27901878 0.89
SCHEMBL140291 0.89
SCHEMBL12305761 0.89
SCHEMBL27747641 0.87 TSHR (0.37) TSHRTRPA1ALDH1A1
Bromide SCHEMBL28255766 0.85
SCHEMBL9584 0.84
SCHEMBL1331358 0.84
SCHEMBL27679189 0.84 TSHR (0.54) TSHRTRPA1ALDH1A1TP53
SCHEMBL1332028 0.84
SCHEMBL1331137 0.84

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-1838315-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM SANOFI SA (FR) 2014-03-12 EP disclosed
EP-1838315-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM sanofi-aventis (FR) 2007-10-03 EP disclosed
WO-2006074813-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM SANOFI-AVENTIS (DE) 2006-07-20 WO disclosed
EP-0043465-B1 REACTIVE DYESTUFFS AND THEIR USE IN DYEING AND PRINTING FIBRE MATERIALS CONTAINING HYDROXYLE GROUPS OR NITROGEN BAYER AG (DE) 1984-05-16 EP disclosed
EP-0043465-A2 Reactive dyestuffs and their use in dyeing and printing fibre materials containing hydroxyle groups or nitrogen BAYER AG (DE) 1982-01-13 EP disclosed