SCHEMBL11208828

SCHEMBL11208828

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.33

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
SCHEMBL11245641 0.88 SMPD1 (0.37) SMPD1
SCHEMBL11253572 0.86 SMPD1 (0.39) SMPD1
SCHEMBL11322984 0.83 SMPD1 (0.44) SMPD1
SCHEMBL11322033 0.82 SMPD1 (0.50) SMPD1
SCHEMBL11327490 0.81
SCHEMBL11327549 0.80 SMPD1 (0.53) SMPD1
SCHEMBL11310316 0.78
SCHEMBL17417120 0.77 LPAR2 (0.32) SMPD1
SCHEMBL17923986 0.77 SMPD1 (0.35) SMPD1
SCHEMBL17417141 0.76 SMPD1 (0.30) SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012452-B1 PHOSPHORIC ACID ESTERS AND THEIR USE IN PESTICIDAL COMPOSITIONS BAYER AG (DE) 1983-02-09 EP claimed
US-4327040-A BASIC CATALYZED REACTION OF PROPARGYL ALCOHOL WITH A PHOSPHORIC ACID CHLORIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
US-4257987-A SYNERGISTIC ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-24 US disclosed