SCHEMBL6135567

SCHEMBL6135567

COC(C)(C)C(Br)CCC(C)CCO

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL11279030 0.78 ALDH1A1 (0.34) ALDH1A1ALOX15
SCHEMBL7974373 0.77 ALDH1A1 (0.39) ALDH1A1ALOX15
SCHEMBL11059751 0.72 ALDH1A1 (0.55) ALDH1A1ALOX15
SCHEMBL15477168 0.72 ALDH1A1 (0.41) ALDH1A1ALOX15
SCHEMBL18677555 0.71 ALDH1A1 (0.38) ALDH1A1ALOX15
SCHEMBL11547425 0.69 ALDH1A1 (0.42) ALDH1A1ALOX15
SCHEMBL28762 0.69
SCHEMBL20191265 0.69 ALDH1A1 (0.43) ALDH1A1ALOX15
SCHEMBL28459967 0.67 ALDH1A1 (0.41) ALDH1A1ALOX15
SCHEMBL5372118 0.67 PTPN1 (0.38) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373548-B1 CHEMO-ENZYMATIC SYNTHESIS OF OPTICALLY ENRICHED ROSE-OXIDES COUNCIL SCIENT IND RES (IN) 2005-07-13 EP disclosed
US-6692944-B2 Chemo-enzymatic synthesis of optically enriched rose-oxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2004-02-17 US disclosed
EP-1373548-A1 CHEMO-ENZYMATIC SYNTHESIS OF OPTICALLY ENRICHED ROSE-OXIDES Council of Scientific and Industrial Research (IN) 2004-01-02 EP disclosed
WO-2003087387-A1 CHEMO-ENZYMATIC SYNTHESIS OF OPTICALLY ENRICHED ROSE-OXIDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-23 WO disclosed
US-20030186395-A1 Chemo-enzymatic synthesis of optically enriched rose-oxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2003-10-02 US disclosed