SCHEMBL19973824

SCHEMBL19973824

[CH2]CCCCCC/C=C/C=C/CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
FASN P49327 1/20 0.39
TRPA1 O75762 1/20 0.35
F7 P08709 2/20 0.34
F3 P13726 2/20 0.34
MAPT P10636 2/20 0.34
CYP19A1 P11511 2/20 0.34
KDM4E B2RXH2 2/20 0.34
OXER1 Q8TDS5 1/20 0.34
MEN1 O00255 1/20 0.34
FFAR1 O14842 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
PLA2G1B P04054 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL2875958 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1F7
SCHEMBL18837608 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1F7
SCHEMBL5933890 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1F7
SCHEMBL25185214 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1F7
SCHEMBL18837539 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1F7
SCHEMBL25178102 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1F7
SCHEMBL14778218 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1F7
SCHEMBL21694555 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1F7
SCHEMBL21694554 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1F7
SCHEMBL2871345 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1F7

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
CN-109715605-B Process for preparing carotenoid monoesters 巴斯夫欧洲公司 2022-04-12 CN disclosed
WO-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed