⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28232356 | 0.96 | TSHR (0.47) | — | |
| SCHEMBL28233227 | 0.96 | TSHR (0.47) | — | |
| SCHEMBL27655275 | 0.96 | TSHR (0.47) | — | |
| SCHEMBL28232400 | 0.96 | TSHR (0.47) | — | |
| SCHEMBL2390662 | 0.96 | TSHR (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL3498578 | 0.96 | TSHR (0.47) | — | |
| SCHEMBL28232349 | 0.96 | TSHR (0.47) | — | |
| SCHEMBL28446602 | 0.96 | TSHR (0.47) | — | |
| Water SCHEMBL11633420 | 0.96 | TSHR (0.47) | — | |
| SCHEMBL28058978 | 0.96 | TSHR (0.47) | — |
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 901 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12435294-B2 | Prevention of the oxidation of perfumery raw materials and food raw materials | FIRMENICH SA (CH) | 2025-10-07 | — | — | US | claimed |
| CN-119913116-A | Coenzyme circulation system and application | 嘉兴欣贝莱生物科技有限公司 | 2025-05-02 | — | — | CN | claimed |
| CN-119913122-A | L-amino acid synthesis system and application | 嘉兴欣贝莱生物科技有限公司 | 2025-05-02 | — | — | CN | claimed |
| CN-119899108-A | Bio-based polyol, preparation method thereof and application thereof in heavy anti-corrosion coating | 南京工业大学 | 2025-04-29 | — | — | CN | claimed |
| CN-116283635-B | Method for synthesizing N, 3-trimethyl-2-oxo butyramide | 浙江九洲药业股份有限公司 | 2025-04-15 | — | — | CN | claimed |
| CN-119709656-A | Ketone reductase mutant and application thereof in preparation of (R) -2-hydroxy-3, 3-dimethylbutyric acid | 尚科生物医药（上海）有限公司 | 2025-03-28 | — | — | CN | claimed |
| CN-119709892-A | Method for preparing (S) -2-hydroxy-3, 3-dimethylbutyric acid by using enzymatic method | 尚科生物医药（上海）有限公司 | 2025-03-28 | — | — | CN | claimed |
| CN-119662583-A | Leucine dehydrogenase mutant and application thereof | 嘉兴欣贝莱生物科技有限公司 | 2025-03-21 | — | — | CN | claimed |
| CN-119097576-A | Preventing oxidation of flavor raw material and food raw material | 弗门尼舍有限公司 | 2024-12-10 | — | — | CN | claimed |
| CN-113038928-B | Preventing oxidation of flavor raw material and food raw material | 弗门尼舍有限公司 | 2024-08-30 | — | — | CN | claimed |
| US-4564704-A | Production of 3,3-dimethyl-2-oxo-butyric acid salt | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-14 | — | — | US | claimed |
| EP-0049416-B1 | SUBSTITUTED 6-HALOGEN-TERTIARY-BUTYL-1,2,4-TRIAZIN-5-ONES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS HERBICIDES | BAYER AG (DE) | 1984-07-11 | — | — | EP | claimed |
| EP-0033476-B1 | PROCESS FOR THE PREPARATION OF 4-AMINO-6-TERT.BUTYL-3-METHYLTHIO-1,2,4-TRIAZIN-5(4H)ONE | BAYER AG (DE) | 1984-03-21 | — | — | EP | claimed |
| EP-0035708-B1 | PROCESS FOR THE PREPARATION OF 4-AMINO-6-TERT.-BUTYL-3-METHYLTHIO-1,2,4-TRIAZIN-5(4H)-ONE | BAYER AG (DE) | 1983-10-12 | — | — | EP | claimed |
| US-4326056-A | FROM PIVALOYL CYANIDE AND ISOBUTYLENE IN ACETIC AND SULFURIC ACID, HYDROLYSIS, FORMING TRIMETHYL PYRUVIC ACID, THEN REACTING WITH THIOCARBOHYDRAZIDE | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1982-04-20 | — | — | US | claimed |
| US-4315094-A | Preparation of 4-amino-6-tert.-butyl-3-alkylthio-1,2,4-triazin-5(4H)-one | BAYER AKTIENGESELLSCHAFT (DE) | 1982-02-09 | — | — | US | claimed |
| US-4309538-A | Preparation of 4-amino-6-tert.-butyl-3-alkylthio-1,2,4-triazin-5(4H)-ones | BAYER AKTIENGESELLSCHAFT (DE) | 1982-01-05 | — | — | US | claimed |
| EP-0011207-B1 | PROCESS FOR THE PREPARATION OF 3,3-DIMETHYL-2-OXO-BUTANOIC ACID | Mobay Chemical Corporation (US) | 1981-11-25 | — | — | EP | claimed |
| US-4151355-A | Process for the preparation of 6-tert.-butyl-3-mercapto-4-amino-1,2,4-triazin-5(4H)-one | BAYER AKTIENGESELLSCHAFT (DE) | 1979-04-24 | — | — | US | claimed |
| US-4113767-A | Process for the preparation of alkali metal salts of 3,3-dimethyl-2-oxo-butyric acid | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | claimed |