SCHEMBL4330962

SCHEMBL4330962

CC(=O)CCC(C(C)C)C(C)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
SLC15A2 Q16348 1/20 0.35
CA1 P00915 2/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRG1 Q8N1C3 2/20 0.30
GABRG3 Q99928 2/20 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
SCHEMBL12787706 0.87 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL29036720 0.77
SCHEMBL14359923 0.74 ALDH1A1 (0.35) ALDH1A1TDP1LMNASLC15A2
SCHEMBL2418247 0.74
SCHEMBL237372 0.72 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL11802464 0.72 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL29020065 0.72 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2ACHE
SCHEMBL16360132 0.72 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL16786175 0.72 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL9720153 0.71 ALDH1A1 (0.53) ALDH1A1TDP1LMNASLC15A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560598-B2 reacting a saturated, tertiary terpene alcohol with hypochloric acid under conditions effective to produce at least one oxidation product selected from the group consisting of cyclic ethers, chloroketones, and mixtures thereof MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2009-07-14 US claimed
CN-101415665-A Fragrance compositions from tertiary terpene alcohols MILLENNIUM SPECIALTY CHEM INC (US) 2009-04-22 CN claimed
EP-2004582-A1 FRAGRANCE COMPOSITIONS FROM TERTIARY TERPENE ALCOHOLS Millennium Specialty Chemicals, Inc. (US) 2008-12-24 EP claimed
WO-2007130218-A1 FRAGRANCE COMPOSITIONS FROM TERTIARY TERPENE ALCOHOLS MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2007-11-15 WO claimed
US-20070238629-A1 Fragrance compositions from tertiary terpene alcohols RENESSENZ LLC 2007-10-11 US claimed
US-7560598-B2 reacting a saturated, tertiary terpene alcohol with hypochloric acid under conditions effective to produce at least one oxidation product selected from the group consisting of cyclic ethers, chloroketones, and mixtures thereof MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2009-07-14 US disclosed
US-7560598-B2 reacting a saturated, tertiary terpene alcohol with hypochloric acid under conditions effective to produce at least one oxidation product selected from the group consisting of cyclic ethers, chloroketones, and mixtures thereof MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2009-07-14 US disclosed
US-7560598-B2 reacting a saturated, tertiary terpene alcohol with hypochloric acid under conditions effective to produce at least one oxidation product selected from the group consisting of cyclic ethers, chloroketones, and mixtures thereof MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2009-07-14 US disclosed
CN-101415665-A Fragrance compositions from tertiary terpene alcohols MILLENNIUM SPECIALTY CHEM INC (US) 2009-04-22 CN disclosed
EP-2004582-A1 FRAGRANCE COMPOSITIONS FROM TERTIARY TERPENE ALCOHOLS Millennium Specialty Chemicals, Inc. (US) 2008-12-24 EP disclosed
WO-2007130218-A1 FRAGRANCE COMPOSITIONS FROM TERTIARY TERPENE ALCOHOLS MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2007-11-15 WO disclosed
US-20070238629-A1 Fragrance compositions from tertiary terpene alcohols RENESSENZ LLC 2007-10-11 US disclosed
US-20070238629-A1 Fragrance compositions from tertiary terpene alcohols RENESSENZ LLC 2007-10-11 US disclosed
US-20070238629-A1 Fragrance compositions from tertiary terpene alcohols RENESSENZ LLC 2007-10-11 US disclosed