SCHEMBL18529347

SCHEMBL18529347

CCCCC(O)C(O)(O)C(O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DNM1 Q05193 2/20 0.35
CA2 P00918 3/20 0.33
MAPK1 P28482 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
CA1 P00915 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
FFAR1 O14842 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL20481573 0.93 GPR84 (0.40) FDPSGPR84SPHK1FFAR1LMNA
SCHEMBL2355993 0.91 GPR84 (0.43) FDPSGPR84SPHK1FFAR1LMNA
SCHEMBL22345907 0.86 FDPS (0.34) FDPSALDH1A1DNM1CA2MAPK1
SCHEMBL20796785 0.84 TSHR (0.33) TDP1LMNA
SCHEMBL27224848 0.84 TSHR (0.33) TDP1LMNA
SCHEMBL934067 0.84 TSHR (0.33) TDP1LMNA
SCHEMBL29223272 0.82 TSHR (0.32) LMNA
Alcohol SCHEMBL11217558 0.80 TSHR (0.35) ALDH1A1LMNA
SCHEMBL790771 0.79 FDPS (0.43) FDPSALDH1A1DNM1CA2MAPK1
SCHEMBL8533665 0.77 CA2 (0.39) FDPSALDH1A1DNM1CA2MAPK1

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
US-20230068565-A1 LOW-HARM CIGARETTE SUBJECTED TO SMOKE ENHANCEMENT CHINA TOBACCO HUNAN INDUSTRIAL CO., LTD. (CN) 2023-03-02 US disclosed
US-10703929-B2 Aqueous polymer compositions comprising polyurethane (meth)acrylates BASF SE (DE) 2020-07-07 US disclosed
US-20180244948-A1 AQUEOUS POLYMER COMPOSITIONS COMPRISING POLYURETHANE (METH)ACRYLATES BASF SE (DE) 2018-08-30 US disclosed
EP-3337840-A1 AQUEOUS POLYMER COMPOSITIONS COMPRISING POLYURETHANE (METH)ACRYLATES BASF SE (DE) 2018-06-27 EP disclosed
WO-2017029280-A1 AQUEOUS POLYMER COMPOSITIONS COMPRISING POLYURETHANE (METH)ACRYLATES BASF SE (DE) 2017-02-23 WO disclosed