SCHEMBL17849040

SCHEMBL17849040

[CH2]CCCC=CCC=CCCC[CH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
PPARG P37231 4/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP19A1 P11511 2/20 0.34
PTGS1 P23219 2/20 0.34
KMT2A Q03164 2/20 0.34
OXER1 Q8TDS5 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
RXRA P19793 1/20 0.34
FFAR1 O14842 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL18281096 0.94 TRPV1 (0.39) TRPV1PPARGPPARDPPARAF7
SCHEMBL2634272 0.94 TRPV1 (0.39) TRPV1PPARGPPARDPPARAF7
SCHEMBL17849051 0.91 TRPV1 (0.38) TRPV1PPARGPPARDPPARAF7
SCHEMBL17849064 0.91 TRPV1 (0.38) TRPV1PPARGPPARDPPARAF7
SCHEMBL17849061 0.91 TRPV1 (0.38) TRPV1PPARGPPARDPPARAF7
SCHEMBL17849055 0.91 TRPV1 (0.38) TRPV1PPARGPPARDPPARAF7
SCHEMBL5985965 0.89
SCHEMBL5857075 0.89
SCHEMBL19582250 0.88 TRPV1 (0.39) TRPV1PPARGPPARDPPARAF7
SCHEMBL22553034 0.87 ALDH1A1 (0.52) TRPV1PPARGPPARDPPARAF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024099911-A1 IRON CARBONYL COMPLEXES WITH CHIRAL, BIDENTATE BIPHOSPHINE LIGANDS BASF SE (DE) 2024-05-16 WO disclosed
EP-3489213-B1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2021-04-28 EP disclosed
EP-3489213-A1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-05-29 EP disclosed
EP-3233778-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-02-20 EP disclosed
EP-3303315-A1 METHOD FOR PRODUCING CYCLIC ESTERS BASF SE (DE) 2018-04-11 EP disclosed
EP-3233778-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2017-10-25 EP disclosed
WO-2016193134-A1 METHOD FOR PRODUCING CYCLIC ESTERS BASF SE (DE) 2016-12-08 WO disclosed
WO-2016097242-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2016-06-23 WO disclosed