SCHEMBL16765852

SCHEMBL16765852

CCCCCC1CCCC1(O)CC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
EPHX1 P07099 4/20 0.33
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
ARG1 P05089 3/20 0.31
ARG2 P78540 2/20 0.31
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL16766402 0.98 TDP1 (0.39) TDP1EPHX1ALDH1A1S1PR1S1PR3
SCHEMBL16766423 0.98 TDP1 (0.39) TDP1EPHX1ALDH1A1S1PR1S1PR3
SCHEMBL16766406 0.94 TDP1 (0.44) TDP1CYP1A2ARG1ARG2
SCHEMBL16766049 0.86 CA1 (0.33) TDP1
SCHEMBL31421560 0.84 TDP1 (0.37) TDP1EPHX1ALDH1A1
SCHEMBL7630994 0.83 TDP1 (0.36) TDP1EPHX1ALDH1A1S1PR1S1PR3
SCHEMBL8063149 0.82 TDP1 (0.35) TDP1EPHX1CYP1A2S1PR1S1PR3
SCHEMBL12986822 0.82 CYP1A2 (0.41) TDP1EPHX1CYP1A2ALDH1A1ARG1
SCHEMBL22289345 0.81 CA1 (0.36) CYP1A2
SCHEMBL28717721 0.81 EPHX1 (0.34) TDP1EPHX1CYP1A2ALDH1A1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710283-B Cyclopentanol compound 国际香料和香精公司 2019-06-11 CN claimed
US-9701925-B2 Cyclopentanol compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-07-11 US claimed
EP-2902468-B1 Method of using cyclopentanol compounds as fragrance materials INT FLAVORS & FRAGRANCES INC (US) 2017-03-15 EP claimed
US-20160160152-A1 NOVEL CYCLOPENTANOL COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2016-06-09 US claimed
US-9290718-B2 Cyclopentanol compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-03-22 US claimed
EP-2902468-A2 Novel cyclopentanol compounds International Flavors & Fragrances Inc. (US) 2015-08-05 EP claimed
US-20150159118-A1 NOVEL CYCLOPENTANOL COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-06-11 US claimed
CN-104710283-B Cyclopentanol compound 国际香料和香精公司 2019-06-11 CN disclosed
US-9701925-B2 Cyclopentanol compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-07-11 US disclosed
US-9701925-B2 Cyclopentanol compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-07-11 US disclosed
US-9701925-B2 Cyclopentanol compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-07-11 US disclosed
EP-2902468-B1 Method of using cyclopentanol compounds as fragrance materials INT FLAVORS & FRAGRANCES INC (US) 2017-03-15 EP disclosed
EP-2902468-B1 Method of using cyclopentanol compounds as fragrance materials INT FLAVORS & FRAGRANCES INC (US) 2017-03-15 EP disclosed
US-9290718-B2 Cyclopentanol compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-03-22 US disclosed
US-9290718-B2 Cyclopentanol compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-03-22 US disclosed
EP-2902468-A2 Novel cyclopentanol compounds International Flavors & Fragrances Inc. (US) 2015-08-05 EP disclosed
EP-2902468-A2 Novel cyclopentanol compounds International Flavors & Fragrances Inc. (US) 2015-08-05 EP disclosed
US-20150159118-A1 NOVEL CYCLOPENTANOL COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-06-11 US disclosed
US-20150159118-A1 NOVEL CYCLOPENTANOL COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-06-11 US disclosed
US-20150159118-A1 NOVEL CYCLOPENTANOL COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-06-11 US disclosed