SCHEMBL16767016

SCHEMBL16767016

CCCCC1CCCC1(C)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.39
ARG1 P05089 3/20 0.33
ARG2 P78540 2/20 0.33
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL19263000 1.00 TDP1 (0.45) TDP1CYP1A2ARG1ARG2LMNA
SCHEMBL16765715 0.94 TDP1 (0.41) TDP1CYP1A2ARG1ARG2
SCHEMBL16765710 0.92 TDP1 (0.40) TDP1CYP1A2
SCHEMBL16765708 0.92 TDP1 (0.40) TDP1CYP1A2
SCHEMBL16765904 0.88 CA1 (0.34) TDP1
Water SCHEMBL28822891 0.87 TDP1 (0.36) TDP1CYP1A2
SCHEMBL15655838 0.86 TDP1 (0.46) TDP1CYP1A2ARG1ARG2LMNA
Water SCHEMBL28036000 0.85 EPHX1 (0.35) TDP1CYP1A2
SCHEMBL7882602 0.82 CA1 (0.38) CYP1A2
SCHEMBL18595190 0.82 CA1 (0.38) CYP1A2

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
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-20160160152-A1 NOVEL CYCLOPENTANOL COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2016-06-09 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
CN-104710283-A Novel cyclopentanol compounds INT FLAVORS & FRAGRANCES INC 2015-06-17 CN disclosed
US-20150159118-A1 NOVEL CYCLOPENTANOL COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-06-11 US disclosed