SCHEMBL8955352

SCHEMBL8955352

CCCCCCC(C=O)(CC)CO

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.39
FDPS P14324 9/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
SMPD1 P17405 2/20 0.37
CES2 O00748 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL20873212 0.98 FDPS (0.36) GGPS1FDPSFAAHTRPV1SMPD1
SCHEMBL20873222 0.92 GGPS1 (0.42) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL342500 0.92 FDPS (0.33) FDPSFAAHTRPV1
SCHEMBL20873214 0.92 GGPS1 (0.42) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL20873211 0.90 GGPS1 (0.41) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL9578391 0.90 FDPS (0.39) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL20873210 0.90 FDPS (0.39) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL20873209 0.88 GGPS1 (0.39) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL20873215 0.88 FDPS (0.38) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL1714213 0.87 TSHR (0.42) GGPS1FDPSFAAHTRPV1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466941-B1 PROCESS FOR PRODUCING CYCLIC ACETAL COMPOUND MITSUBISHI GAS CHEMICAL CO (JP) 2020-08-05 EP disclosed
EP-3466941-A1 METHOD FOR PREPARING CYCLIC ACETAL COMPOUND Mitsubishi Gas Chemical Company, Inc. (JP) 2019-04-10 EP disclosed
EP-0568819-B1 Process for the preparation of 3-(hydroxyphenyl)-propionaldehydes and optionally the preparation of 3-(hydroxyphenyl)-propanols BASF AG (DE) 1996-01-03 EP disclosed
US-5304685-A Preparation of 3-(hydroxyphenyl)propionaldehydes and their hydrogenation to 3-(hydroxyphenyl)propanols BASF AKTIENGESELLSCHAFT (DE) 1994-04-19 US disclosed
EP-0568819-A1 Process for the preparation of 3-(hydroxyphenyl)-propionaldehydes and optionally the preparation of 3-(hydroxyphenyl)-propanols BASF Aktiengesellschaft (DE) 1993-11-10 EP disclosed