⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30865811 | 0.84 | THRB (0.43) | — | |
| SCHEMBL8994872 | 0.83 | THRB (0.39) | — | |
| SCHEMBL891903 | 0.82 | — | — | |
| SCHEMBL9497231 | 0.80 | — | — | |
| SCHEMBL6139505 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL18155638 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL11798288 | 0.78 | TSHR (0.63) | — | |
| SCHEMBL17780661 | 0.78 | TSHR (0.63) | — | |
| SCHEMBL9498948 | 0.78 | TSHR (0.63) | — | |
| SCHEMBL8978821 | 0.78 | TSHR (0.63) | — |
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 408 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120058637-A | Preparation method of unsaturated ketone and catalyst used in preparation method | 山东新和成精化科技有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-117550962-B | Preparation method of 5, 6-dimethyl-5-hepten-2-one | 万华化学集团股份有限公司 | 2025-02-18 | — | — | CN | claimed |
| CN-116462578-B | Method for synthesizing delta-methyl ketone by one-pot method | 万华化学集团股份有限公司 | 2024-04-09 | — | — | CN | claimed |
| CN-117550962-A | Preparation method of 5, 6-dimethyl-5-hepten-2-one | 万华化学集团股份有限公司 | 2024-02-13 | — | — | CN | claimed |
| CN-116462578-A | Method for synthesizing delta-methyl ketone by one-pot method | 万华化学集团股份有限公司 | 2023-07-21 | — | — | CN | claimed |
| CN-116272689-A | Method for continuously preparing unsaturated ketone | 山东新和成维生素有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-116272690-A | Synthesis method of unsaturated ketone | 山东新和成维生素有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-113979847-B | Method for synthesizing 6-methyl-5-octen-2-one by carbonyl-ene reaction | 万华化学集团股份有限公司 | 2023-01-17 | — | — | CN | claimed |
| CN-111039769-B | Method for synthesizing methyl heptenone from methyl butynol | 万华化学集团股份有限公司（CN） | 2023-01-13 | — | — | CN | claimed |
| CN-109534977-B | Method for synthesizing alpha, gamma-unsaturated dienone from propargyl alcohol and catalyst used in method | 万华化学集团股份有限公司 | 2022-04-22 | — | — | CN | claimed |
| CN-113979847-A | Method for synthesizing 6-methyl-5-octen-2-one by carbonyl-ene reaction | 万华化学集团股份有限公司 | 2022-01-28 | — | — | CN | claimed |
| CN-111039769-A | Method for synthesizing methylheptenone from methylbutynol | 万华化学集团股份有限公司 | 2020-04-21 | — | — | CN | claimed |
| CN-100334056-C | Production of unsaturated ketone | UNIV ZHEJIANG (CN) | 2007-08-29 | — | — | CN | claimed |
| CN-1817841-A | Production of unsaturated ketone | UNIV ZHEJIANG (CN) | 2006-08-16 | — | — | CN | claimed |
| EP-4711434-A1 | REFRIGERANT CYCLE APPARATUS | Daikin Industries, Ltd. (JP) | 2026-03-18 | — | — | EP | disclosed |
| EP-4234293-B1 | REFRIGERATION CYCLE DEVICE FOR VEHICLE | DAIKIN IND LTD (JP) | 2025-12-24 | — | — | EP | disclosed |
| US-12441922-B2 | Refrigerant-containing composition, use of same, refrigerator having same, operation method for said refrigerator, and refrigeration cycle device equipped with same | DAIKIN INDUSTRIES, LTD. (JP) | 2025-10-14 | — | — | US | disclosed |
| EP-0407342-A2 | Pyrimidine derivatives | CIBA-GEIGY AG (CH) | 1991-01-09 | — | — | EP | disclosed |
| EP-0272110-A2 | Erythromycin a derivatives and method for the preparation of the same | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1988-06-22 | — | — | EP | disclosed |
| US-4008287-A | FROM AN ALKENE AND A DIHALOCARBENE | SHELL OIL COMPANY (US) | 1977-02-15 | — | — | US | disclosed |