SCHEMBL3158686

SCHEMBL3158686

CC1=C(O)C(O)CC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ PTPN1 P18031 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 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
SCHEMBL3161230 1.00 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL3632209 1.00 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL14458060 0.81 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL14458061 0.81 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL4293411 0.76 — —
SCHEMBL3659400 0.76 MAPT (0.34) MAPT
SCHEMBL3659823 0.76 MAPT (0.34) MAPT
SCHEMBL5605733 0.75 IDO1 (0.33) MAPTIDO1TDO2
SCHEMBL3162292 0.75 IDO1 (0.33) MAPTIDO1TDO2
SCHEMBL11223105 0.71 MAPT (0.45) MAPTPTPN1IDO1TDO2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018114732-A1 PROCESS FOR PREPARING (4S)- OR (4R)-3,4-DIHYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENONE BASF SE (DE) 2018-06-28 — — WO disclosed
WO-2018114732-A1 PROCESS FOR PREPARING (4S)- OR (4R)-3,4-DIHYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENONE BASF SE (DE) 2018-06-28 — — WO disclosed
WO-2018114733-A1 PROCESS FOR THE PREPARATION OF STEREOISOMERIC PURE C9-ACETALS BASF SE (DE) 2018-06-28 — — WO disclosed
WO-2018114733-A1 PROCESS FOR THE PREPARATION OF STEREOISOMERIC PURE C9-ACETALS BASF SE (DE) 2018-06-28 — — WO disclosed
WO-2018114732-A1 PROCESS FOR PREPARING (4S)- OR (4R)-3,4-DIHYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENONE BASF SE (DE) 2018-06-28 — — WO disclosed
CN-103288613-A Method for synthesizing astaxanthin intermediate by utilizing 2, 6, 6-trimethyl-3, 4-dihydroxy-2-cyclohexene-1-one GUANGZHOU JUYUAN BIO CHEM CO LTD 2013-09-11 — — CN disclosed
CN-103288613-A Method for synthesizing astaxanthin intermediate by utilizing 2, 6, 6-trimethyl-3, 4-dihydroxy-2-cyclohexene-1-one GUANGZHOU JUYUAN BIO CHEM CO LTD 2013-09-11 — — CN disclosed
EP-2089530-B1 PROCESS FOR THE PREPARATION OF (4S)-3,4-DIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF EMPLOYING THE AZOARCUS PHENYLETHANOL DEHYDROGENASE BASF SE (DE) 2010-03-03 — — EP disclosed
US-20090325225-A1 METHOD FOR THE PRODUCTION OF (4S)-3,4-DIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF BASF AKTIENGESELLSCHAFT PATENTS, TRADEMARKS AND LICENSES (DE) 2009-12-31 — — US disclosed
EP-2089530-A2 METHOD FOR THE PRODUCTION OF (4S)-3, 4-DIHYDROXY-2,6, 6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF BASF SE (DE) 2009-08-19 — — EP disclosed
EP-0633258-B1 Improved process for the production of astaxanthin, new intermediates therefor and a process for their production BASF AG (DE) 1999-11-10 — — EP disclosed
US-5625099-A Preparation of astaxanthin, novel intermediates therefor and the preparation thereof ERNST HANSGEORG (DE) 1997-04-29 — — US disclosed
US-5455362-A Preparation of astaxanthin novel intermediates therefor and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1995-10-03 — — US disclosed
EP-0633258-A1 Improved process for the production of astaxanthin, new intermediates therefor and a process for their production BASF Aktiengesellschaft (DE) 1995-01-11 — — EP disclosed
EP-0085158-B1 PROCESS FOR THE PREPARATION OF CYCLOALKENON DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-06-19 — — EP disclosed
US-4465567-A Process for the manufacture of 3-hydroxy-2-cycloalken-1-one derivatives HOFFMANN-LA ROCHE INC. (US) 1984-08-14 — — US disclosed
EP-0085158-A2 Process for the preparation of cycloalkenon derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-08-10 — — EP disclosed
EP-0005748-B1 PROCESS FOR THE PREPARATION OF CYCLOHEXENYL DERIVATIVES, AND INTERMEDIATES PRODUCED IN THE SYNTHESIS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-12-29 — — EP disclosed
US-4283559-A Process for the manufacture of cyclohexene derivatives HOFFMANN-LA ROCHE INC. (US) 1981-08-11 — — US disclosed
EP-0005748-A2 Process for the preparation of cyclohexenyl derivatives, and intermediates produced in the synthesis F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-12-12 — — EP disclosed
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