Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Cyclohexene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Alcohol SCHEMBL3332380 | 0.97 | ALDH1A1 (0.40) | — | |
| Alcohol SCHEMBL9632135 | 0.97 | ALDH1A1 (0.40) | — | |
| Cyclooctene SCHEMBL1536237 | 0.97 | ALDH1A1 (0.40) | — | |
| Cyclopentene SCHEMBL519527 | 0.93 | — | — | |
| Alcohol SCHEMBL28352951 | 0.87 | ALDH1A1 (0.38) | — | |
| Cyclohexene SCHEMBL14693725 | 0.87 | ALDH1A1 (0.35) | — | |
| Cyclohexene SCHEMBL4925350 | 0.85 | — | — | |
| Alcohol SCHEMBL3830644 | 0.84 | ALDH1A1 (0.35) | — | |
| Cyclohexene SCHEMBL2363138 | 0.81 | TSHR (0.39) | — | |
| Propane SCHEMBL28837493 | 0.81 | — | — |
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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104744216-B | Method for preparing beta-phenethyl alcohol | 万华化学集团股份有限公司 | 2017-01-11 | — | — | CN | claimed |
| US-20030092634-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2003-05-15 | — | — | US | claimed |
| US-6506733-B1 | Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. | AXYS PHARMACEUTICALS, INC. | 2003-01-14 | — | — | US | claimed |
| EP-1159260-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-05 | — | — | EP | claimed |
| WO-2000055124-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | claimed |
| EP-3240419-B1 | PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY | DOW AGROSCIENCES LLC (US) | 2020-05-06 | — | — | EP | disclosed |
| US-10188109-B2 | Picolinamide compounds with fungicidal activity | DOW AGROSCIENCES LLC (US) | 2019-01-29 | — | — | US | disclosed |
| CN-109071379-A | METHOD FOR PRODUCING CONJUGATED DIENE | 株式会社可乐丽 | 2018-12-21 | — | — | CN | disclosed |
| CN-108821978-A | A kind of method that selective reduction prepares 1- cyclohexene ethamine | 辽宁东科药业有限公司 | 2018-11-16 | — | — | CN | disclosed |
| CN-106395679-B | The built-in automatic lifting feed device and its method of work for surveying loading system in a kind of residents in rural community processing | 徐州工程学院 | 2018-06-15 | — | — | CN | disclosed |
| US-20180000084-A1 | USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY | DOW AGROSCIENCES LLC | 2018-01-04 | — | — | US | disclosed |
| US-20170360038-A1 | PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY | CORTEVA AGRISCIENCE LLC | 2017-12-21 | — | — | US | disclosed |
| WO-2000017164-A1 | 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS | PFIZER PRODUCTS INC. (US) | 2000-03-30 | — | — | WO | disclosed |
| US-6028223-A | AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| CN-1201454-A | Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists | SEARLE & CO (US) | 1998-12-09 | — | — | CN | disclosed |
| US-5216141-A | OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR LINKAGES | BENNER, STEVEN | 1993-06-01 | — | — | US | disclosed |
| EP-0418309-A4 | OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR | — | 1993-01-07 | — | — | EP | disclosed |
| WO-1992001476-A1 | NOVEL DRUG DELIVERY SYSTEMS FOR PROTEINS AND PEPTIDES USING ALBUMIN AS A CARRIER MOLECULE | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 1992-02-06 | — | — | WO | disclosed |
| EP-0418309-A1 | OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR | BENNER, Steven Albert (CH) | 1991-03-27 | — | — | EP | disclosed |
| WO-1989012060-A1 | OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR | BENNER STEVEN ALBERT (CH) | 1989-12-14 | — | — | WO | disclosed |