SCHEMBL5203855

SCHEMBL5203855

C=C(C)C(=O)OC(C)C(N)(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL3826580 0.98 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL4772046 0.89 TSHR (0.34) TSHRALDH1A1
Hydrochloric Acid SCHEMBL14335997 0.88 TSHR (0.33) TSHRTHRB
SCHEMBL2192060 0.81 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL23494194 0.79 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL28468966 0.79 TSHR (0.42) TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL719293 0.79 TSHR (0.35) TSHRALDH1A1THRB
Iodide SCHEMBL2315413 0.79 TSHR (0.35) TSHRALDH1A1THRB
SCHEMBL2437214 0.79 TSHR (0.41) TSHRALDH1A1THRBTDP1
SCHEMBL28340199 0.78 TSHR (0.36) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2720668-B1 COSMETIC USE OF A FLOCCULANT POLYMER AS ANTIPERSPIRANT OREAL (FR) 2020-05-06 EP claimed
EP-1761241-A1 USE AS AN ANTIPERSPIRANT AGENT OF A FLOCCULATING WATER-SOLUBLE POLYMER; COSMETIC PROCESS FOR TREATING PERSPIRATION l'Oreal SA (FR) 2007-03-14 EP claimed
WO-2005120448-A1 USE AS AN ANTIPERSPIRANT AGENT OF A FLOCCULATING WATER-SOLUBLE POLYMER; COSMETIC PROCESS FOR TREATING PERSPIRATION L'OREAL (FR) 2005-12-22 WO claimed
US-5169540-A Treating an aqueous system to separate suspended material BETZ LABORATORIES, INC. (US) 1992-12-08 US disclosed