SCHEMBL19767656

SCHEMBL19767656

CCC(C)C(O)CC(C)C(O)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TRPA1 O75762 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
SCHEMBL108996 0.95 TSHR (0.42) TSHRTRPA1
SCHEMBL4634456 0.81 TSHR (0.40) TSHRTRPA1
SCHEMBL108644 0.79 TSHR (0.38) TSHRTRPA1
SCHEMBL5907214 0.78 TSHR (0.50) TSHRTRPA1
SCHEMBL2403526 0.78 TSHR (0.42) TSHRTRPA1
SCHEMBL108859 0.76 TSHR (0.40) TSHRTRPA1
SCHEMBL28946275 0.76 TSHR (0.40) TSHRTRPA1
SCHEMBL16882890 0.76 TSHR (0.40) TSHRTRPA1
SCHEMBL7325421 0.75 TSHR (0.44) TSHRTRPA1
SCHEMBL12042669 0.75 TSHR (0.44) TSHRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016465-A1 AQUEOUS BASED POLYURETHANE/ACRYLATE HYBRID DISPERSIONS MICHELMAN, INC. (US) 2018-01-18 US disclosed