⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21903317 | 1.00 | TSHR (0.35) | — | |
| SCHEMBL20027402 | 1.00 | TSHR (0.35) | — | |
| SCHEMBL13182148 | 1.00 | — | — | |
| SCHEMBL30722302 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL1296590 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL4419723 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL29859441 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL4413431 | 0.69 | — | — | |
| SCHEMBL5401146 | 0.69 | — | — | |
| SCHEMBL23358865 | 0.67 | TSHR (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0036713-B1 | ANGIOTENSIN CONVERTING ENZYME INHIBITORS | UNIVERSITY OF MIAMI (US) | 1984-01-18 | — | — | EP | claimed |
| CN-114672036-A | Metal organic framework material with basic functional group and preparation method thereof | 北京航空航天大学 | 2022-06-28 | — | — | CN | disclosed |
| EP-3770148-A1 | RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | Beijing Tide Pharmaceutical Co., Ltd. (CN) | 2021-01-27 | — | — | EP | disclosed |
| US-9688808-B2 | Curable epoxy resin systems containing mixtures of amine hardeners and an excess of epoxide groups | DOW GLOBAL TECHNOLOGIES LLC (US) | 2017-06-27 | — | — | US | disclosed |
| US-20170100400-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED | 2017-04-13 | — | — | US | disclosed |