SCHEMBL11319934

SCHEMBL11319934

C#CCC(C)(C#C)OP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 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
SCHEMBL17923920 0.79 SMPD1 (0.33) SMPD1
SCHEMBL17417095 0.76 LPAR2 (0.30)
SCHEMBL17417072 0.74
SCHEMBL11208828 0.73 SMPD1 (0.33) SMPD1
SCHEMBL13896295 0.73 SMPD1 (0.57) SMPD1
SCHEMBL17923986 0.72 SMPD1 (0.35) SMPD1
SCHEMBL11318673 0.72
SCHEMBL18918242 0.72 SMPD1 (0.32) SMPD1
SCHEMBL11253572 0.71 SMPD1 (0.39) SMPD1
SCHEMBL11327490 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-4257987-A SYNERGISTIC ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-24 US disclosed