SCHEMBL1679732

SCHEMBL1679732

C/C(C=O)=C\C=C\C=C(/C)C=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS1 P23219 1/20 0.40
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
PGR P06401 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
SCHEMBL15483041 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL1679735 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL11576798 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL2616617 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL2631743 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL12976498 0.91
SCHEMBL2919091 0.91 TSHR (0.37) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL6649326 0.91 TSHR (0.37) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL2616645 0.88 ALDH1A1 (0.58) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL5074195 0.88 ALDH1A1 (0.58) ALDH1A1TSHRTDP1ALOX15RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199570-B Preparation method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2024-05-03 CN claimed
CN-114940644-B Crystallization method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2024-04-09 CN claimed
CN-113956145-B Preparation method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2023-12-19 CN claimed
CN-116947608-A Preparation method and application of 1, 4-tetramethoxy-2-butene 安徽智新生化有限公司 2023-10-27 CN claimed
CN-116496150-A Preparation method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2023-07-28 CN claimed
CN-116199570-A Preparation method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2023-06-02 CN claimed
CN-115784957-A Method for purifying astaxanthin 上虞新和成生物化工有限公司 2023-03-14 CN claimed
CN-113511993-B Synthesis method of beta-apo-8' -ethyl carotenoate 广州智特奇生物科技股份有限公司 2023-02-24 CN claimed
CN-114940644-A Crystallization method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2022-08-26 CN claimed
CN-113956145-A Preparation method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2022-01-21 CN claimed
US-5386063-A Forming a synthetic carotenoids chemical intermediates by reacting triethyl-2-phosphonopropionate with fumarylaldehyde and/or fumarylaldehyde dimethylacetal containing carbon isotope THE CATHOLIC UNIVERSITY OF AMERICA (US) 1995-01-31 US claimed
EP-0509273-B1 2,5-Bis-(1',1'-dialkoxy-2'-propyl)-2,5-dihydrofurans, process for their preparation and their use in preparing carotenoids BASF AG (DE) 1995-01-25 EP claimed
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 claimed
EP-0509273-A1 2,5-Bis-(1',1'-dialkoxy-2'-propyl)-2,5-dihydrofurans, process for their preparation and their use in preparing carotenoids BASF Aktiengesellschaft (DE) 1992-10-21 EP claimed
WO-1992015544-A1 METHOD OF MAKING 2,7-DIMETHYL-2,4,6-OCTATRIENEDIAL AND DERIVATIVES THEREOF LOYOLA UNIVERSITY OF CHICAGO (US) 1992-09-17 WO claimed
US-5107030-A Method of making 2,7-dimethyl-2,4,6-octatrienedial and derivatives thereof LOYOLA UNIVERSITY OF CHICAGO (US) 1992-04-21 US claimed
EP-0455119-A2 Process for the preparation of canthaxanthin and astaxanthin BASF Aktiengesellschaft (DE) 1991-11-06 EP claimed
EP-0382067-A1 3,7,11-Trimethyl dodeca-2,4,6,10-tetraen-1-yl phosphonium salts F. HOFFMANN-LA ROCHE AG (CH) 1990-08-16 EP claimed
EP-0005749-A2 Derivatives of cyclohexene, process for their peparation, as well as their uses F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-12-12 EP claimed
US-4105855-A Manufacture of symmetrical carotenoids BASF AKTIENGESELLSCHAFT (DE) 1978-08-08 US claimed