SCHEMBL31497248

SCHEMBL31497248

CC(C)CC/C=C/C=C\C=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
TRPA1 O75762 1/20 0.35
CNR2 P34972 4/20 0.33
CNR1 P21554 2/20 0.33
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
MAPT P10636 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
SCHEMBL31497244 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTRPA1CNR2CNR1
SCHEMBL28454751 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTRPA1CNR2CNR1
SCHEMBL1783743 0.90
SCHEMBL1783745 0.90
SCHEMBL17920743 0.82 ALDH1A1 (0.47) ALDH1A1TSHRTRPA1
SCHEMBL17920742 0.82 ALDH1A1 (0.47) ALDH1A1TSHRTRPA1CNR2CNR1
SCHEMBL5316062 0.80 ALDH1A1 (0.50) ALDH1A1TSHRTRPA1CNR2CNR1
SCHEMBL1783808 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTRPA1CNR2CNR1
SCHEMBL1783811 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTRPA1CNR2CNR1
SCHEMBL13604736 0.76 CNR2 (0.45) ALDH1A1CNR2CNR1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798060-A Method for preparing citronellal 万华化学集团股份有限公司 2025-04-11 CN claimed
CN-119798060-B Method for preparing citronellal 万华化学集团股份有限公司 2026-04-07 CN disclosed
CN-119798060-A Method for preparing citronellal 万华化学集团股份有限公司 2025-04-11 CN disclosed
CN-119798060-A Method for preparing citronellal 万华化学集团股份有限公司 2025-04-11 CN disclosed