⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11520870 | 0.81 | BTN3A1 (0.34) | — | |
| SCHEMBL13463895 | 0.78 | — | — | |
| SCHEMBL114887 | 0.77 | KMT2A (0.62) | — | |
| SCHEMBL114886 | 0.77 | KMT2A (0.62) | — | |
| SCHEMBL356732 | 0.77 | KMT2A (0.62) | — | |
| SCHEMBL36620 | 0.76 | BTN3A1 (0.41) | — | |
| SCHEMBL27295132 | 0.76 | BTN3A1 (0.41) | — | |
| SCHEMBL15980978 | 0.75 | KMT2A (0.67) | — | |
| SCHEMBL10127135 | 0.75 | KMT2A (0.67) | — | |
| SCHEMBL12967956 | 0.75 | KMT2A (0.67) | — |
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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119191944-A | Method for preparing 3-methoxy-3-methyl-1-butanol | 万华化学集团股份有限公司 | 2024-12-27 | — | — | CN | claimed |
| CN-109476570-B | 6-isopropyl-2, 4-dimethylcyclohexen-1-ol compounds as fragrance ingredients | 奇华顿股份有限公司 | 2022-06-07 | — | — | CN | claimed |
| JP-60006631-A | — | — | None | — | — | JP | disclosed |
| CN-119191944-A | Method for preparing 3-methoxy-3-methyl-1-butanol | 万华化学集团股份有限公司 | 2024-12-27 | — | — | CN | disclosed |
| US-20230337672-A1 | METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2023-10-26 | — | — | US | disclosed |
| WO-2023171797-A1 | PIGMENT-CONTAINING COMPOSITION, AND INK USING SAME | 株式会社クラレ | 2023-09-14 | — | — | WO | disclosed |
| US-20230232827-A1 | METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2023-07-27 | — | — | US | disclosed |
| US-20230232827-A1 | METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2023-07-27 | — | — | US | disclosed |
| CN-109476570-B | 6-isopropyl-2, 4-dimethylcyclohexen-1-ol compounds as fragrance ingredients | 奇华顿股份有限公司 | 2022-06-07 | — | — | CN | disclosed |
| WO-2017071784-A1 | FOODSTUFF (III) | SYMRISE AG (DE) | 2017-05-04 | — | — | WO | disclosed |
| EP-2499148-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2017-01-18 | — | — | EP | disclosed |
| US-5120868-A | Palladium complex with phosphorus containing and/or displaceable binder | SNAMPROGETTI S.P.A. (IT) | 1992-06-09 | — | — | US | disclosed |
| EP-0450707-A1 | Catalyst system and process for the selective production of isoprenyl-alkylethers from isoprene | SNAMPROGETTI S.p.A. (IT) | 1991-10-09 | — | — | EP | disclosed |
| US-4814425-A | ISOPENTENYL COMPOUNDS | KURARAY CO., LTD. (JP) | 1989-03-21 | — | — | US | disclosed |
| EP-0302406-A2 | Novel alternate copolymers | KURARAY CO., LTD. (JP) | 1989-02-08 | — | — | EP | disclosed |
| JP-S606631-A | PRODUCTION OF ALPHA, BETA-UNSATURATED CARBONYL COMPOUND | KURARAY CO LTD | 1985-01-14 | — | — | JP | disclosed |
| EP-0030109-B1 | PROCESS FOR PRODUCING ISOPRENE | KURARAY CO., LTD. (JP) | 1983-10-05 | — | — | EP | disclosed |
| US-4381416-A | Process for producing isoprene | KURARAY CO., LTD. (JP) | 1983-04-26 | — | — | US | disclosed |
| EP-0030109-A1 | Process for producing isoprene | KURARAY CO., LTD. (JP) | 1981-06-10 | — | — | EP | disclosed |
| EP-0010372-A1 | Recyclable boron trifluoride catalyst and method of using same | ALLIED CORPORATION (US) | 1980-04-30 | — | — | EP | disclosed |