⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6080709 | 1.00 | — | — | |
| SCHEMBL13799374 | 0.73 | KMT2A (0.32) | — | |
| SCHEMBL11213720 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL11213717 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL11213716 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL11205631 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL11205628 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL12354302 | 0.70 | — | — | |
| SCHEMBL18320087 | 0.70 | — | — | |
| SCHEMBL20969067 | 0.70 | SMN1; SMN2 (0.31) | — |
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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117342920-A | Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof | 西北工业大学 | 2024-01-05 | — | — | CN | claimed |
| CN-112225645-B | Preparation method of m-cresol | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | claimed |
| CN-112225645-A | Preparation method of m-cresol | 万华化学集团股份有限公司 | 2021-01-15 | — | — | CN | claimed |
| CN-108191599-B | Four-membered ring fuel molecule and photochemical preparation method thereof | 天津大学 | 2020-08-04 | — | — | CN | claimed |
| US-10689309-B1 | Fused-ring alkane fuel and photocatalytic preparation process thereof | TIANJIN UNIVERSITY (CN) | 2020-06-23 | — | — | US | claimed |
| US-20200181040-A1 | Fused-ring alkane fuel and photocatalytic preparation process thereof | TIANJIN UNIVERSITY (CN) | 2020-06-11 | — | — | US | claimed |
| US-4128579-A | Process for the manufacture of α,β-unsaturated cycloaliphatic ketoximes | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-12-05 | — | — | US | claimed |
| EP-4417252-A2 | CANNABIS BASED THERAPEUTIC AND METHOD OF USE | Yuzu LV LLC (US) | 2024-08-21 | — | — | EP | disclosed |
| CN-117342920-A | Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof | 西北工业大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-116675597-A | Method for synthesizing cyclohexenone derivative from alkoxy propylene | 万华化学集团股份有限公司 | 2023-09-01 | — | — | CN | disclosed |
| US-20230242548-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2023-08-03 | — | — | US | disclosed |
| CN-111203277-B | Application of chiral bidentate phosphite ligand, conia-Ene reaction catalyst and method for constructing chiral quaternary carbon center | 郑州大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-109563075-B | TLR7/8 antagonists and uses thereof | 默克专利股份公司 | 2022-09-30 | — | — | CN | disclosed |
| EP-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| US-6225261-B1 | CONTACTING SAID ACIDIC SOLUTION CONTAINING SULFIDES WITH AN ALDEHYDE OR KETONE SULFIDE REACTANT | HALLIBURTON ENERGY SERVICES, INC. | 2001-05-01 | — | — | US | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | disclosed |
| US-5624950-A | USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS | RHONE-POULENC RORER S.A. (FR) | 1997-04-29 | — | — | US | disclosed |
| US-5622919-A | REACTING FERRIC ION IN THE FORMATION WITH A THIOGLYCOLIC ACID REDUCING AGENT AND A ALPHA-KETONE SULFIDE REACTING AGENT TO INHIBIT FORMATION OF FERROUS SULFIDE | HALLIBURTON COMPANY (US) | 1997-04-22 | — | — | US | disclosed |
| US-5134238-A | Chiral copper amine complexes | BRIGHAM YOUNG UNIVERSITY (US) | 1992-07-28 | — | — | US | disclosed |
| US-4128579-A | Process for the manufacture of α,β-unsaturated cycloaliphatic ketoximes | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-12-05 | — | — | US | disclosed |