SCHEMBL3374536

SCHEMBL3374536

C=CC(C)CCC=C(C)COC(=O)CC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 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
SCHEMBL7893228 0.88 ALOX15 (0.33) ALOX15TDP1TSHR
SCHEMBL8672011 0.88 ALOX15 (0.34) ALOX15TDP1TSHR
SCHEMBL7893230 0.85 TRPA1 (0.34) ALOX15TDP1TSHR
SCHEMBL158258 0.84 ALOX15 (0.42) ALOX15TDP1TSHR
SCHEMBL10980197 0.84 ALOX15 (0.42) ALOX15TDP1TSHR
SCHEMBL8341380 0.84 ALOX15 (0.32) ALOX15TDP1TSHR
Bromide SCHEMBL8341298 0.83 ALOX15 (0.31) ALOX15TDP1
SCHEMBL8667280 0.82 TSHR (0.36) ALOX15TSHR
SCHEMBL8528618 0.82 ALOX15 (0.34) ALOX15TSHR
Bromide SCHEMBL8341249 0.82 LMNA (0.33) ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955994-B1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES PROCTER & GAMBLE (US) 2010-11-03 EP disclosed
US-6126953-A BETA-KETOESTER PRO-ACCORDS, WHICH ARE CAPABLE OF RELEASING MIXTURES OF FRAGRANCE RAW MATERIALS. THE PROCTER & GAMBLE COMPANY (US) 2000-10-03 US disclosed
EP-0973722-A1 BETA KETOESTER COMPOSITIONS AND METHOD OF MANUFACTURE THE PROCTER & GAMBLE COMPANY (US) 2000-01-26 EP disclosed
EP-0955994-A1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES THE PROCTER & GAMBLE COMPANY (US) 1999-11-17 EP disclosed
US-5965767-A Beta ketoester compositions and method of manufacture PROCTER & GAMBLE COMPANY (US) 1999-10-12 US disclosed
WO-1998045245-A1 BETA KETOESTER COMPOSITIONS AND METHOD OF MANUFACTURE THE PROCTER & GAMBLE COMPANY (US) 1998-10-15 WO disclosed
WO-1998007407-A1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed