SCHEMBL11338698

SCHEMBL11338698

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL11345384 0.76 LAP3 (0.35) LAP3
SCHEMBL11340279 0.76 LAP3 (0.35) LAP3
SCHEMBL11245329 0.74 LAP3 (0.34) LAP3TSHR
SCHEMBL11324553 0.74 MMP1 (0.37) LAP3
SCHEMBL6487 0.73 LAP3 (0.32) LAP3
SCHEMBL1097634 0.71 MMP1 (0.36) LAP3
SCHEMBL869379 0.70 LAP3 (0.30) LAP3
SCHEMBL867788 0.70 LAP3 (0.30) LAP3
SCHEMBL3001745 0.69 MMP1 (0.35) LAP3
SCHEMBL485995 0.69

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-4246103-A INHIBIT PRECIPITATION OF HARD WATER IONS ESPECIALLY FOR INDUSTRIAL WATER AND SLUDGE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed