SCHEMBL7709341

SCHEMBL7709341

C1=CCOC2(CCCCC2)OC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5331066 0.75
SCHEMBL669437 0.75
SCHEMBL6245109 0.73 KDM4E (0.33) KDM4EALDH1A1POLBTDP1
SCHEMBL7024771 0.73
SCHEMBL60409 0.73 KDM4E (0.33) KDM4EALDH1A1POLBTDP1
SCHEMBL6469498 0.73 KDM4E (0.33) KDM4EALDH1A1POLBTDP1
SCHEMBL13276440 0.73 KDM4E (0.33) KDM4EALDH1A1POLBTDP1
SCHEMBL10530234 0.73 KDM4E (0.33) KDM4EALDH1A1POLBTDP1
SCHEMBL10796699 0.71 GAA (0.31) POLBTDP1
SCHEMBL8909769 0.71 GAA (0.31) POLBTDP1

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 6 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
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
US-4761489-A PERFUMES BASF AKTIENGESELLSCHAFT (DE) 1988-08-02 US disclosed
US-4292246-A ISOMERIZATION OF A 4,5-DIHYDRO-1,3-DIOXEPINE BY HEATING WITH CATALYTIC O-TOLUIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1981-09-29 US disclosed