⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL9750539 | 0.95 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL11802524 | 0.95 | — | — | |
| Ether SCHEMBL1361847 | 0.95 | — | — | |
| Ether SCHEMBL9823903 | 0.95 | — | — | |
| Ether SCHEMBL9248674 | 0.94 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.94 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL6 | 0.94 | — | — | |
| Ether SCHEMBL21406 | 0.94 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL8160191 | 0.94 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9448930 | 0.89 | ALDH1A1 (0.44) | — |
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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023172858-A9 | A PROCESS FOR PREPARING 4-METHYL-2-PROPAN-2-YL-PYRIDINE-3-CARBONITRILE | AMGEN INC. (US) | 2024-05-16 | — | — | WO | claimed |
| WO-2023172858-A1 | A PROCESS FOR PREPARING 4-METHYL-2-PROPAN-2-YL-PYRIDINE-3-CARBONITRILE | AMGEN INC. (US) | 2023-09-14 | — | — | WO | claimed |
| CN-115385941-A | Fluoroboropyrrole derivative and preparation method and application thereof | 广东工业大学 | 2022-11-25 | — | — | CN | claimed |
| EP-2703383-A1 | Process for the preparation of agomelatine | Procos S.p.A. (IT) | 2014-03-05 | — | — | EP | claimed |
| JP-5320171-A | — | — | None | — | — | JP | disclosed |
| JP-2001461-A | — | — | None | — | — | JP | disclosed |
| CN-118271544-A | Foamable resin for photocuring 3D printing and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2024-07-02 | — | — | CN | disclosed |
| WO-2023172858-A9 | A PROCESS FOR PREPARING 4-METHYL-2-PROPAN-2-YL-PYRIDINE-3-CARBONITRILE | AMGEN INC. (US) | 2024-05-16 | — | — | WO | disclosed |
| CN-117702500-A | Solvent-free bass and preparation method thereof | 巴斯夫欧洲公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-117510562-A | Synthesis method of medical intermediate 2' -O-propynyl-uridine | 苏州诺维康生物科技有限公司 | 2024-02-06 | — | — | CN | disclosed |
| WO-2023172858-A1 | A PROCESS FOR PREPARING 4-METHYL-2-PROPAN-2-YL-PYRIDINE-3-CARBONITRILE | AMGEN INC. (US) | 2023-09-14 | — | — | WO | disclosed |
| CN-116239643-A | Engliflozin intermediate compound | 山东新时代药业有限公司 | 2023-06-09 | — | — | CN | disclosed |
| CN-1032309-C | Indole derivatives | PFIZER (US) | 1996-07-17 | — | — | CN | disclosed |
| JP-H05320171-A | 1-BETA-METHYLCARBAPENEM ANTIBIOTIC INTERMEDIATE | MERCK & CO INC | 1993-12-03 | — | — | JP | disclosed |
| CN-1075635-A | immunosuppressant | ISHIHARA SANGYO KAISHA (JP) | 1993-09-01 | — | — | CN | disclosed |
| JP-H021461-A | PREPARATION OF ASYMMETRIC DITHIOACETAL AND DITHIOKETAL | MERCK & CO INC | 1990-01-05 | — | — | JP | disclosed |
| CN-1037338-A | The improvement of organic compound or relevant organic compound | SANDOZ LTD (CH) | 1989-11-22 | — | — | CN | disclosed |
| US-4831265-A | ANTIFIBROTIC AGENT | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-05-16 | — | — | US | disclosed |
| EP-0189555-A1 | Method of obtaining derivatives of 4-beta-(1'-alken-1'-yl)-2-xi, 5-alpha-dihydroxy-3,3a-beta, 4,5,6,6a-beta-hexahydro-2H-cyclopenta[b] furane, and sulphonyl derivatives of 2H-cyclopenta[b] furane | Polska Akademia Nauk - Instytut Chemii Organicznej (PL) | 1986-08-06 | — | — | EP | disclosed |
| EP-0058057-A1 | Method of producing quinone derivatives | Takeda Chemical Industries, Ltd. (JP) | 1982-08-18 | — | — | EP | disclosed |