SCHEMBL9561302

SCHEMBL9561302

C=CC(=O)N[C@H](C)C(=O)OC1(C)CCC(C(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38

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
SCHEMBL5585619 0.78 TSHR (0.34) TSHR
SCHEMBL29469592 0.75 SCN1A (0.31)
SCHEMBL614026 0.75 SCN1A (0.31)
SCHEMBL31149439 0.72 SCN1A (0.30)
SCHEMBL4063068 0.72 SCN1A (0.30)
Hydrochloric Acid SCHEMBL9284121 0.72 SLC1A2 (0.30)
SCHEMBL118103 0.71 ALOX15 (0.34) TSHR
SCHEMBL11692287 0.71 OPRL1 (0.32)
SCHEMBL9561828 0.71 DPP4 (0.32)
SCHEMBL9561908 0.71 DPP4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5274167-A A N-(meth)acryloyl amino acid amide BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0379917-A2 Optically active (meth)acrylic-acid derivatives, their preparation, their polymerisation into optically active polymers and their use BAYER AG (DE) 1990-08-01 EP disclosed