⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL2458814 | 0.97 | ALDH1A1 (0.67) | — | |
| Butanone SCHEMBL17201869 | 0.97 | ALDH1A1 (0.67) | — | |
| Butanone SCHEMBL19681448 | 0.90 | ALDH1A1 (0.67) | — | |
| Hexane SCHEMBL8397988 | 0.88 | ALDH1A1 (0.56) | — | |
| Butanone SCHEMBL1576889 | 0.87 | TDP1 (0.62) | — | |
| Cyclohexane SCHEMBL28800605 | 0.86 | ALDH1A1 (0.53) | — | |
| Heptane SCHEMBL28767960 | 0.86 | ALDH1A1 (0.53) | — | |
| Butanone SCHEMBL1039820 | 0.84 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1510153 | 0.84 | — | — | |
| Butanone SCHEMBL8379087 | 0.84 | ALDH1A1 (1.00) | — |
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 179 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115210241-B | Solid forms of imidazopyrazine citrate | 成都倍特药业股份有限公司 | 2023-09-08 | — | — | CN | claimed |
| CN-110105514-B | Graft polymer and preparation method thereof | 西京学院 | 2021-11-30 | — | — | CN | claimed |
| CN-110105514-A | A kind of graft polymers and preparation method thereof | 西京学院 | 2019-08-09 | — | — | CN | claimed |
| US-20180282339-A1 | PROCESS FOR THE PREPARATION OF THE AMORPHOUS FORM OF IBRUTINIB AND NOVEL CRYSTALLINE FORM | OLON SPA (IT) | 2018-10-04 | — | — | US | claimed |
| EP-3377498-A1 | PROCESS FOR THE PREPARATION OF THE AMORPHOUS FORM OF IBRUTINIB AND NOVEL CRYSTALLINE FORM | OLON S.p.A. (IT) | 2018-09-26 | — | — | EP | claimed |
| WO-2013142687-A1 | METHOD OF EXTRACTING POLAR LIPIDS AND NEUTRAL LIPIDS WITH TWO SOLVENTS | HELIAE DEVELOPMENT, LLC (US) | 2013-09-26 | — | — | WO | claimed |
| EP-2636689-A1 | Process and plant for manufacturing polyethylene or ethylene based copolymers | Borealis AG (AT) | 2013-09-11 | — | — | EP | claimed |
| US-5470443-A | Separation of isopropanol from 2-butanone by extractive distillation | Berg, Lloyd (US) | 1995-11-28 | — | — | US | claimed |
| JP-63102317-A | — | — | None | — | — | JP | disclosed |
| CN-113234003-B | Glycopyrronium bromide and preparation method thereof | 广东嘉博制药有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-116986899-A | Barium zirconate ceramic-based LTCC raw material, LTCC substrate and preparation method of LTCC substrate | 上海晶材新材料科技有限公司 | 2023-11-03 | — | — | CN | disclosed |
| WO-2023209033-A1 | METHOD FOR CRYSTALLIZING TAPENTADOL INTERMEDIATE, TAPENTADOL INTERMEDIATE OF HIGH PURITY, METHOD OF MAKING TAPENTADOL AND TAPENTADOL OF HIGH PURITY | KRKA, D.D., NOVO MESTO (SI) | 2023-11-02 | — | — | WO | disclosed |
| EP-4269384-A1 | METHOD FOR CRYSTALLIZING TAPENTADOL INTERMEDIATE, TAPENTADOL INTERMEDIATE OF HIGH PURITY, METHOD OF MAKING TAPENTADOL AND TAPENTADOL OF HIGH PURITY | KRKA, d.d., Novo mesto (SI) | 2023-11-01 | — | — | EP | disclosed |
| CN-115849885-B | High-purity high-strength alumina ceramic substrate and preparation method thereof | 宜宾红星电子有限公司 | 2023-09-19 | — | — | CN | disclosed |
| US-4385057-A | TREATING MENTAL AND PSYCHOSOMATIC DISORDERS | AB FERROSAN (SE) | 1983-05-24 | — | — | US | disclosed |
| US-4334084-A | BY REACTING COAL WITH AQUEOUS NITRIC ACID | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-06-08 | — | — | US | disclosed |
| US-4308387-A | ANTIPSYCHOTIC, ANTIDEPRESSANT, ANALGESIC | AB FERROSAN (SE) | 1981-12-29 | — | — | US | disclosed |
| US-4084060-A | CONTROLLED SWELLING DURING HYDROXYETHYLATION IN AQUEOUS CAUSTIC | UNION CARBIDE CORPORATION (US) | 1978-04-11 | — | — | US | disclosed |
| US-4009329-A | SODIUM AND LITHIUM HYDROXIDE CATALYST | UNION CARBIDE CORPORATION (US) | 1977-02-22 | — | — | US | disclosed |
| US-4003931-A | ANTIINFLAMMATORY AGENTS, ANALGESICS | FUVEAU S.A. (FR) | 1977-01-18 | — | — | US | disclosed |