SCHEMBL25880537

SCHEMBL25880537

C=CCCCN1C=CN(CCCC=C)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL12637024 0.81 TSHR (0.35) TSHRALDH1A1
Hydrochloric Acid SCHEMBL4527660 0.80 TSHR (0.34) TSHRALDH1A1
SCHEMBL1219040 0.78 TSHR (0.31) TSHR
SCHEMBL4366095 0.77
SCHEMBL1931519 0.77 TSHR (0.33) TSHRALDH1A1
Bromide SCHEMBL3791306 0.76 TSHR (0.32) TSHRALDH1A1
SCHEMBL3224992 0.74
SCHEMBL329125 0.72 GLB1 (0.38) TSHRALDH1A1
Boric Acid SCHEMBL28678821 0.72 GLB1 (0.30)
SCHEMBL1680335 0.71 TSHR (0.34) TSHRALDH1A1

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
WO-2023129602-A1 CATALYST, METHOD OF PREPARATION, AND METHODS INVOLVING HYDROSILYLATION DOW SILICONES CORPORATION (US) 2023-07-06 WO disclosed