SCHEMBL21596745

SCHEMBL21596745

CC1C/C=C\CCCCCCCCCCC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16914815 1.00 ALDH1A1 (0.30) ALDH1A1ALOX15KMT2A
SCHEMBL3868799 1.00 ALDH1A1 (0.30) ALDH1A1ALOX15KMT2A
SCHEMBL16914892 1.00 ALDH1A1 (0.30) ALDH1A1ALOX15KMT2A
SCHEMBL3865730 1.00 ALDH1A1 (0.30) ALDH1A1ALOX15KMT2A
SCHEMBL3859032 1.00 ALDH1A1 (0.30) ALDH1A1ALOX15KMT2A
SCHEMBL5974304 1.00 ALDH1A1 (0.30) ALDH1A1ALOX15KMT2A
SCHEMBL3868800 1.00 ALDH1A1 (0.30) ALDH1A1ALOX15KMT2A
SCHEMBL3865732 1.00 ALDH1A1 (0.30) ALDH1A1ALOX15KMT2A
SCHEMBL5974299 1.00 ALDH1A1 (0.30) ALDH1A1ALOX15KMT2A
SCHEMBL17784582 1.00 ALDH1A1 (0.30) ALDH1A1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746532-A1 COMPOUNDS FOR PROVIDING A LONG-LASTING STRAWBERRY ODOR Firmenich SA (CH) 2020-12-09 EP disclosed
WO-2019243369-A1 COMPOUNDS FOR PROVIDING A LONG-LASTING STRAWBERRY ODOR FIRMENICH SA (CH) 2019-12-26 WO disclosed