SCHEMBL7709739

SCHEMBL7709739

O=CC1CCOC2(CCCCC2)OC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
PABPC1 P11940 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL87185 0.74
SCHEMBL19072401 0.72
SCHEMBL28270960 0.72
SCHEMBL10689585 0.71
SCHEMBL6245109 0.69 KDM4E (0.33) GAA
SCHEMBL10530234 0.69 KDM4E (0.33) GAA
SCHEMBL60409 0.69 KDM4E (0.33) GAA
SCHEMBL13276440 0.69 KDM4E (0.33) GAA
SCHEMBL6469498 0.69 KDM4E (0.33) GAA
SCHEMBL2657636 0.69 PABPC1 (0.38) GAAPABPC1CTDSP1

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
US-5864046-A 9-hydroxymethyl-7,12-dioxaspiro 5,6!dodecane, 9-(2-hydroxyethyl)-7,11-dioxaspiro 5,5!undecane and a process for preparing said 9-(2-hydroxyethyl)-7,11-dioxaspiro 5,5!undecane COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1999-01-26 US claimed
EP-0221445-B1 SUBSTITUTED 5-FORMYL-1,3-DIOXEPANES, THEIR PREPARATION AND USE AS PERFUMES BASF Aktiengesellschaft (DE) 1988-10-26 EP claimed
EP-0221445-A1 Substituted 5-formyl-1,3-dioxepanes, their preparation and use as perfumes BASF Aktiengesellschaft (DE) 1987-05-13 EP claimed
US-6355814-B1 REACTING 9-HYDROXYMETHYL-7,12-DIOXASPIRO DODECANE WITH ALCOHOL AT 100-140 DEGREES C. FOR 1-4 HOURS IN PRESENCE OF ACID CATALYST, RECOVERING PRODUCT COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH OF INDIA (IN) 2002-03-12 US disclosed
US-5864046-A 9-hydroxymethyl-7,12-dioxaspiro 5,6!dodecane, 9-(2-hydroxyethyl)-7,11-dioxaspiro 5,5!undecane and a process for preparing said 9-(2-hydroxyethyl)-7,11-dioxaspiro 5,5!undecane COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1999-01-26 US disclosed
US-5728848-A 9-hydroxymethyl-7,12 dioxaspiro 5,6!dodecane, novel 9-(2-hydroxyethyl-7,11-dioxaspiro 5,5!undecane and a process for preparing said 9-(2-hydroxyethyl-7,11 dioxaspiro 5,5!undecane COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-03-17 US disclosed
EP-0221445-B1 SUBSTITUTED 5-FORMYL-1,3-DIOXEPANES, THEIR PREPARATION AND USE AS PERFUMES BASF Aktiengesellschaft (DE) 1988-10-26 EP disclosed
US-4761489-A PERFUMES BASF AKTIENGESELLSCHAFT (DE) 1988-08-02 US disclosed
US-4761489-A PERFUMES BASF AKTIENGESELLSCHAFT (DE) 1988-08-02 US disclosed
EP-0221445-A1 Substituted 5-formyl-1,3-dioxepanes, their preparation and use as perfumes BASF Aktiengesellschaft (DE) 1987-05-13 EP disclosed
EP-0221445-A1 Substituted 5-formyl-1,3-dioxepanes, their preparation and use as perfumes BASF Aktiengesellschaft (DE) 1987-05-13 EP disclosed