⚠ 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 | |
|---|---|---|---|---|
| Isobutyraldehyde SCHEMBL2635854 | 0.95 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL2996 | 0.95 | — | — | |
| Isobutyraldehyde SCHEMBL788159 | 0.95 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL18287436 | 0.95 | — | — | |
| Isobutyraldehyde SCHEMBL3458543 | 0.90 | — | — | |
| Isobutyraldehyde SCHEMBL20816986 | 0.90 | — | — | |
| Isobutyraldehyde SCHEMBL1492519 | 0.90 | — | — | |
| Isobutyraldehyde SCHEMBL9351587 | 0.90 | — | — | |
| Isobutyraldehyde SCHEMBL9404976 | 0.90 | — | — | |
| Isobutyraldehyde SCHEMBL5396003 | 0.90 | — | — |
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 357 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118146096-A | 2, 2-Dimethyl-5- (4-chlorobenzyl) cyclopentanone derivative and preparation method thereof | 浙江大学 | 2024-06-07 | — | — | CN | claimed |
| CN-117225597-A | Low-temperature-resistant composite collector for separating copper sulfide ore | 北矿化学科技(沧州)有限公司 | 2023-12-15 | — | — | CN | claimed |
| CN-115873229-A | Method for producing hyperbranched polyglycidyl alcohol in green solvent-free manner | 杭州蔚远医药科技有限公司 | 2023-03-31 | — | — | CN | claimed |
| CN-115028146-A | Preparation method of sodium bis (fluorosulfonyl) imide | 多氟多新材料股份有限公司 | 2022-09-09 | — | — | CN | claimed |
| CN-114944287-A | Brush-shaped solid ion conductor material and preparation method thereof | 山东圳谷新材料科技有限公司 | 2022-08-26 | — | — | CN | claimed |
| WO-2022111564-A1 | RACEMIZATION METHOD FOR AND USE OF PYRIDINE DERIVATIVE | 海南凯菲士企业管理合伙企业（有限合伙） | 2022-06-02 | — | — | WO | claimed |
| EP-3755692-B1 | METHOD FOR THE DEPLETION OF 2-METHOXYETHANOL (MOE) | BASF SE (DE) | 2022-04-06 | — | — | EP | claimed |
| CN-114057738-A | Synthesis method of chloroindole hydrazide | 京博农化科技有限公司 | 2022-02-18 | — | — | CN | claimed |
| CN-114057687-A | Method for preparing pyridyl pyrazolidinone carboxylic acid compounds | 沈阳中化农药化工研发有限公司 | 2022-02-18 | — | — | CN | claimed |
| US-11214555-B2 | Method for depleting 2-methoxyethanol (MOE) | BASF SE (DE) | 2022-01-04 | — | — | US | claimed |
| US-5529929-A | USING AQUEOUS SOLUTION OF MICROBIAL ESTERASE | SEPRACHEM, INC. (US) | 1996-06-25 | — | — | US | claimed |
| EP-0365970-B1 | PROCESS FOR THE PREPARATION OF CYCLOPROPANAMIDE | BAYER AG (DE) | 1993-08-04 | — | — | EP | claimed |
| US-5068428-A | PROCESS FOR THE PREPARATION OF CYCLOPROPANECARBOXAMIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1991-11-26 | — | — | US | claimed |
| US-4939307-A | Process for hydrogenation of esters into alcohols | SHELL OIL COMPANY (US) | 1990-07-03 | — | — | US | claimed |
| US-4894394-A | Process for the manufacture of methanol in combination with steam reforming of light hydrocarbons | SHELL OIL COMPANY (US) | 1990-01-16 | — | — | US | claimed |
| US-4868345-A | METAL HYDRIDE, ALCOHOL OR ALCOHOLATE, GROUP 8 COMPOUND | SHELL OIL COMPANY (US) | 1989-09-19 | — | — | US | claimed |
| EP-0322989-A2 | Process for the production of methanol | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-07-05 | — | — | EP | claimed |
| EP-0308030-A1 | Process for hydrogenation of esters into alcohols | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-03-22 | — | — | EP | claimed |
| US-4575561-A | CATALYTIC CARBONYLATION AND ESTERIFICATION | TEXACO INC. (US) | 1986-03-11 | — | — | US | claimed |
| US-4052397-A | PROCESS FOR THE PRODUCTION OF 2-ALKYL OR 2-CYCLOALKYL-4-METHYL-6-HYDROXYPYRIMIDINES | CIBA-GEIGY CORPORATION (US) | 1977-10-04 | — | — | US | claimed |