⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL874115 | 0.83 | — | — | |
| SCHEMBL7995031 | 0.81 | LMNA (0.35) | — | |
| SCHEMBL8078593 | 0.76 | — | — | |
| SCHEMBL19817574 | 0.74 | — | — | |
| SCHEMBL8078301 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL380860 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL942111 | 0.73 | — | — | |
| SCHEMBL11390750 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL20282625 | 0.72 | — | — | |
| SCHEMBL1932322 | 0.71 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116064447-A | Use of aminotransferase and mutants thereof in chiral amine synthesis | 中国科学院天津工业生物技术研究所 | 2023-05-05 | — | — | CN | disclosed |
| CN-110577941-B | Amine dehydrogenase and application thereof | 厦门大学 | 2021-06-08 | — | — | CN | disclosed |
| CN-110577941-A | amine dehydrogenase and application thereof | 厦门大学 | 2019-12-17 | — | — | CN | disclosed |
| US-20190254336-A1 | LIQUID COMPOSITION FOR ELECTRONIC CIGARETTES | CMBT HOLDINGS INC. (US) | 2019-08-22 | — | — | US | disclosed |
| CN-105567756-B | A kind of method of marine bacteria strain and its amine dehydrogenase catalysis preparation Chiral Amine | 厦门大学 | 2019-06-14 | — | — | CN | disclosed |
| CN-104856679-B | Breath analysis system and method for asthma, tuberculosis and lung cancer diagnosis and disease management | 创控科技股份有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-104856679-A | Breath analysis systems and methods for asthma, tuberculosis and lung cancer diagnostics and disease management | TRICORN TECH CORP | 2015-08-26 | — | — | CN | disclosed |
| US-20140080847-A1 | Compositions and Methods for Affecting Energy Balance, Body Composition, Fitness, and Well-Being | OEJM Products Holdings, LLC (US) | 2014-03-20 | — | — | US | disclosed |
| CN-102300502-A | Breath analysis system and method for asthma, tuberculosis and lung cancer diagnosis and disease management | — | 2011-12-28 | — | — | CN | disclosed |
| EP-0846679-B1 | Process for preparing 1,3-disubstituted urea | SUMIKA FINE CHEMICALS CO LTD (JP) | 2000-09-06 | — | — | EP | disclosed |
| US-5902899-A | Process for preparing 1, 3-disubstituted urea | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 1999-05-11 | — | — | US | disclosed |
| EP-0846679-A2 | Process for preparing 1,3-disubstituted urea | SUMIKA FINE CHEMICALS Co., Ltd. (JP) | 1998-06-10 | — | — | EP | disclosed |