SCHEMBL2979680

SCHEMBL2979680

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.53
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
BIRC2 Q13490 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
KISS1R Q969F8 3/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
KMT2A Q03164 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CPA1 P15085 1/20 0.39
POLB P06746 1/20 0.39
FOLH1 Q04609 1/20 0.38

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
SCHEMBL17532256 0.88 CA1 (0.55) MMECA1CA2SMN1; SMN2BIRC2
SCHEMBL13885559 0.88 CA1 (0.55) MMECA1CA2SMN1; SMN2BIRC2
SCHEMBL10196957 0.88 MME (0.57) MMECA1CA2SMN1; SMN2BIRC2
SCHEMBL15140463 0.88 MME (0.57) MMECA1CA2SMN1; SMN2BIRC2
SCHEMBL28221969 0.86 MME (0.47) MMECA1CA2SMN1; SMN2BIRC2
SCHEMBL5570380 0.86 MME (0.47) MMECA1CA2SMN1; SMN2BIRC2
SCHEMBL819943 0.86 MME (0.47) MMECA1CA2SMN1; SMN2BIRC2
SCHEMBL28221961 0.86 MME (0.47) MMECA1CA2SMN1; SMN2BIRC2
SCHEMBL17532261 0.85 CA1 (0.48) MMECA1CA2SMN1; SMN2BIRC2
Hydrochloric Acid SCHEMBL5570377 0.84 MME (0.46) MMECA1CA2SMN1; SMN2BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-1737937-B1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2013-06-12 EP claimed
US-7781392-B2 Perfume compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-08-24 US claimed
US-20070287659-A1 Perfume Compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-12-13 US claimed
EP-1737937-A2 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2007-01-03 EP claimed
WO-2005103214-A2 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2005-11-03 WO claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed
EP-3471691-B1 MIXTURE COMPRISING AT LEAST DIHYDRO-5-PENTYL-2(3H)-FURANONE AND 2,4-DIMETHYL-4-PHENYLTETRAHYDROFURAN AND USE THEREOF FOR MASKING UNPLEASANT ODOURS EXPRESSIONS PARFUMEES (FR) 2021-08-11 EP disclosed
US-10717945-B2 Mixture comprising at least dihydro-5-pentyl-2(3H)-furanone and 2,4-dimethyl-4-phenyltetrahydrofuran and use thereof for masking unpleasant odours EXPRESSIONS PARFUMEES (FR) 2020-07-21 US disclosed
US-20190330561-A1 MIXTURE COMPRISING AT LEAST DIHYDR0-5-PENTYL-2(3H)-FURANONE AND 2,4-DIMETHYL-4-PHENYLTETRAHYDROFURAN AND USE THEREOF FOR MASKING UNPLEASANT ODOURS EXPRESSIONS PARFUMEES (FR) 2019-10-31 US disclosed
EP-1737937-B1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2013-06-12 EP disclosed
US-7781392-B2 Perfume compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-08-24 US disclosed
US-20090221462-A1 Fragrance compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2009-09-03 US disclosed
US-20070287659-A1 Perfume Compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-12-13 US disclosed
EP-1737937-A2 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2007-01-03 EP disclosed
WO-2006131739-A1 FRAGRANCE COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-12-14 WO disclosed
WO-2005103214-A2 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2005-11-03 WO disclosed