SCHEMBL21001094

SCHEMBL21001094

CC1CCCCC1CC(C)(C)CO

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 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
SCHEMBL6715398 0.78 CA1 (0.37) CA1CA2CA4
SCHEMBL9950816 0.78 CA1 (0.35) CA1CA2CA4
Propanol SCHEMBL1942399 0.76 CA1 (0.35) CA1CA2CA4
SCHEMBL12186767 0.72
SCHEMBL12127046 0.72
SCHEMBL762995 0.72
SCHEMBL12127048 0.72
SCHEMBL13179995 0.72
SCHEMBL761711 0.72
SCHEMBL764411 0.72

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
EP-3713610-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR Firmenich SA (CH) 2020-09-30 EP claimed
EP-3713609-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2020-09-30 EP claimed
WO-2019101814-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 WO claimed
WO-2019101821-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2019-05-31 WO claimed
EP-3713609-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2020-09-30 EP disclosed
EP-3713610-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR Firmenich SA (CH) 2020-09-30 EP disclosed
WO-2019101821-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2019-05-31 WO disclosed
WO-2019101814-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 WO disclosed