SCHEMBL1484130

SCHEMBL1484130

C=C(OC1CCCCC1)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
NAAA Q02083 2/20 0.37
EPHX1 P07099 4/20 0.36
CYP19A1 P11511 1/20 0.36
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
CACNA1B Q00975 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 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
SCHEMBL24575865 0.79 CA1 (0.48) CA12CA1CA2CA9NAAA
SCHEMBL21738633 0.77
SCHEMBL11592616 0.75 EPHX1 (0.44) CA12CA1CA2CA9NAAA
SCHEMBL11591027 0.75 EPHX1 (0.44) CA12CA1CA2CA9NAAA
SCHEMBL11592227 0.75 EPHX1 (0.44) CA12CA1CA2CA9NAAA
SCHEMBL11519646 0.75 EPHX1 (0.44) CA12CA1CA2CA9NAAA
SCHEMBL11593346 0.75 EPHX1 (0.44) CA12CA1CA2CA9NAAA
SCHEMBL1666983 0.75 CA1 (0.44) CA12CA1CA2CA9NAAA
SCHEMBL9130045 0.74 EPHX1 (0.38) CA12CA1CA2CA9NAAA
SCHEMBL1079567 0.72 EPHX1 (0.46) NAAAEPHX1CYP19A1HTTNPC1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112760168-A Citrus flavor and preparation method and application thereof 广州芬豪香精有限公司 2021-05-07 CN claimed
EP-1480600-A4 METHOD AND COMPOSITION FOR DIMINISHING LOSS OF COLOR IN FLAVORS AND FRAGRANCES CITRUS AND ALLIED ESSENCES LTD (US) 2007-10-31 EP claimed
EP-1581058-A4 METHOD AND COMPOSITION FOR THE PREVENTION OF THE AUTO-OXIDATION OF FLAVORS AND FRAGRANCES CITRUS AND ALLIED ESSENCES LTD (US) 2006-11-29 EP claimed
EP-1581058-A1 METHOD AND COMPOSITION FOR THE PREVENTION OF THE AUTO-OXIDATION OF FLAVORS AND FRAGRANCES Citrus and Allied Essences, Ltd. (US) 2005-10-05 EP claimed
EP-1480600-A1 METHOD AND COMPOSITION FOR DIMINISHING LOSS OF COLOR IN FLAVORS AND FRAGRANCES Citrus and Allied Essences, Ltd. (US) 2004-12-01 EP claimed
WO-2004039160-A1 METHOD AND COMPOSITION FOR THE PREVENTION OF THE AUTO-OXIDATION OF FLAVORS AND FRAGRANCES CITRUS AND ALLIED ESSENCES, LTD. (US) 2004-05-13 WO claimed
WO-2003066006-A1 METHOD AND COMPOSITION FOR DIMINISHING LOSS OF COLOR IN FLAVORS AND FRAGRANCES CITRUS AND ALLIED ESSENCES, LTD. (US) 2003-08-14 WO claimed
US-20030147972-A1 Method and composition for diminishing loss of color in flavors and fragrances CITRUS AND ALLIED ESSENCES, LTD. 2003-08-07 US claimed
US-20030078186-A1 Method and composition for the prevention of the auto-oxidation of flavors and fragrances CITRUS AND ALLIED ESSENCES, LTD. 2003-04-24 US claimed
EP-0596493-B1 Fragrant peracetic acid-containing oxidizing composition NIPPON PEROXIDE CO LTD (JP) 1999-02-03 EP claimed
US-5451346-A Fragrant peracetic acid-containing oxidizing composition INABATA KORYO CO., LTD. (JP) 1995-09-19 US claimed
EP-0596493-A1 Fragrant peracetic acid-containing oxidizing composition NIPPON PEROXIDE CO., LTD. (JP) 1994-05-11 EP claimed
EP-0404470-B1 Fragrance compositions and their use in detergent products QUEST INT (NL) 1994-04-13 EP claimed
EP-0404470-A1 Fragrance compositions and their use in detergent products QUEST INTERNATIONAL B.V. (NL) 1990-12-27 EP claimed
WO-2024122622-A1 AIR FRESHENER CONTAINER 三菱鉛筆株式会社 2024-06-13 WO disclosed
CN-116196680-B Reaction unit is used in production of acetic acid o-tert-butyl cyclohexyl 东营科宏化工有限公司 2024-01-23 CN disclosed
CN-117384715-A Laundry detergent composition comprising graft copolymer and perfume raw material 宝洁公司 2024-01-12 CN disclosed
EP-0596493-B1 Fragrant peracetic acid-containing oxidizing composition NIPPON PEROXIDE CO LTD (JP) 1999-02-03 EP disclosed
US-5451346-A Fragrant peracetic acid-containing oxidizing composition INABATA KORYO CO., LTD. (JP) 1995-09-19 US disclosed
EP-0596493-A1 Fragrant peracetic acid-containing oxidizing composition NIPPON PEROXIDE CO., LTD. (JP) 1994-05-11 EP disclosed