SCHEMBL2545646

SCHEMBL2545646

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
FFAR3 O14843 1/20 0.41
TSHR P16473 3/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
SOAT1 P35610 1/20 0.32
FAAH O00519 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
DRD2 P14416 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL1022151 0.84 FFAR3 (0.42) ALDH1A1TDP1FFAR3TSHRHMGCR
SCHEMBL4140338 0.84 TDP1 (0.42) ALDH1A1TDP1FFAR3
SCHEMBL6205755 0.84 FFAR3 (0.43) ALDH1A1TDP1FFAR3TSHRHMGCR
SCHEMBL901732 0.82 TDP1 (0.33) ALDH1A1TDP1FFAR3
SCHEMBL13684732 0.82 TDP1 (0.33) ALDH1A1TDP1FFAR3
SCHEMBL2216131 0.82 FFAR3 (0.40) ALDH1A1TDP1FFAR3TSHRHMGCR
SCHEMBL4029336 0.80
SCHEMBL10567899 0.80
SCHEMBL2216128 0.80 CYP3A4 (0.33) ALDH1A1TDP1FFAR3TSHR
SCHEMBL20917016 0.80 TDP1 (0.38) ALDH1A1TDP1FFAR3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250040581-A1 FLAVOR COMPOSITIONS GIVAUDAN SA (CH) 2025-02-06 US claimed
EP-4444109-A2 FLAVOR COMPOSITIONS Givaudan SA (CH) 2024-10-16 EP claimed
WO-2023104468-A2 FLAVOR COMPOSITIONS GIVAUDAN SA (CH) 2023-06-15 WO claimed
US-20250040581-A1 FLAVOR COMPOSITIONS GIVAUDAN SA (CH) 2025-02-06 US disclosed
EP-4444109-A2 FLAVOR COMPOSITIONS Givaudan SA (CH) 2024-10-16 EP disclosed
WO-2023104468-A2 FLAVOR COMPOSITIONS GIVAUDAN SA (CH) 2023-06-15 WO disclosed
EP-2553145-B1 ETCH RESISTANT ALUMINA BASED COATINGS PIBOND OY (FI) 2022-09-21 EP disclosed
US-20170200615-A1 ETCH RESISTANT ALUMINA BASED COATINGS PIBOND (ZHEJIANG) NEW MATERIALS CO., LTD (CN) 2017-07-13 US disclosed
US-9564339-B2 Etch resistant alumina based coatings PIBOND OY (FI) 2017-02-07 US disclosed
US-20130143408-A1 ETCH RESISTANT ALUMINA BASED COATINGS SILECS OY (FI) 2013-06-06 US disclosed
EP-2553145-A1 ETCH RESISTANT ALUMINA BASED COATINGS Silecs OY (FI) 2013-02-06 EP disclosed
WO-2011121166-A1 ETCH RESISTANT ALUMINA BASED COATINGS SILECS OY (FI) 2011-10-06 WO disclosed