SCHEMBL6553028

SCHEMBL6553028

O=CC1CC2CCCC2C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.33
ADH1C P00326 4/20 0.33
ADH1B P00325 1/20 0.32
ADH7 P40394 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADH4 P08319 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
SCHEMBL10021815 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11903853 0.85 ALDH1A1 (0.38) ADH1AADH1CADH1BADH7ALDH1A1
SCHEMBL16574870 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9175960 0.81 ALDH1A1 (0.40) ALDH1A1
SCHEMBL5827953 0.81 ALDH1A1 (0.40) ALDH1A1
SCHEMBL6462417 0.79
SCHEMBL6462413 0.79
SCHEMBL21220243 0.78
SCHEMBL31204070 0.78
SCHEMBL11904073 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1078027-B1 UTILIZATION OF BICYCLIC ALDEHYDES AS ODORIFEROUS AGENTS KAO CORP (JP) 2004-12-22 EP claimed
EP-1078027-A1 UTILIZATION OF BICYCLIC ALDEHYDES AS ODORIFEROUS AGENTS Cognis Deutschland GmbH (DE) 2001-02-28 EP claimed
WO-1999054429-A1 UTILIZATION OF BICYCLIC ALDEHYDES AS ODORIFEROUS AGENTS COGNIS DEUTSCHLAND GMBH (DE) 1999-10-28 WO claimed
CN-108341830-A Thienopyrimidine derivative and its application in drug 广东东阳光药业有限公司 2018-07-31 CN disclosed
CN-104926706-B Salt of hexahydro pentalene derivative and its preparation method and application 广东东阳光药业有限公司 2017-12-05 CN disclosed
CN-106336406-A Octahydrocyclopentadiene derivative with beta2 receptor agonisis and M receptor antagonism activity, and use thereof in medicines 四川海思科制药有限公司 2017-01-18 CN disclosed
EP-1078027-B1 UTILIZATION OF BICYCLIC ALDEHYDES AS ODORIFEROUS AGENTS KAO CORP (JP) 2004-12-22 EP disclosed
US-6537963-B1 The use of bicyclic aldehydes as odorous materials, which can be produced through partial or total hydroformylation of bicyclo(3. 3.0)-oct(adi)enes, is described. The fragrance enhancing capacity of the compounds is described in methods COGNIS DEUTSCHLAND GMBH (DE) 2003-03-25 US disclosed
EP-1078027-A1 UTILIZATION OF BICYCLIC ALDEHYDES AS ODORIFEROUS AGENTS Cognis Deutschland GmbH (DE) 2001-02-28 EP disclosed
WO-1999054429-A1 UTILIZATION OF BICYCLIC ALDEHYDES AS ODORIFEROUS AGENTS COGNIS DEUTSCHLAND GMBH (DE) 1999-10-28 WO disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed