⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL146 | 0.97 | — | — | |
| Benzene SCHEMBL28860818 | 0.97 | ALDH1A1 (0.61) | — | |
| SCHEMBL27762232 | 0.93 | — | — | |
| SCHEMBL28533086 | 0.93 | — | — | |
| Water SCHEMBL28204757 | 0.93 | — | — | |
| SCHEMBL28992055 | 0.93 | — | — | |
| SCHEMBL29091866 | 0.93 | — | — | |
| SCHEMBL28449987 | 0.93 | — | — | |
| SCHEMBL28159122 | 0.93 | — | — | |
| Carbon Dioxide SCHEMBL28747073 | 0.88 | ALDH1A1 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210394166-A1 | CATALYST COMPOSITION | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD (GB) | 2021-12-23 | — | — | US | disclosed |
| EP-3860979-A2 | CATALYST COMPOSITION | University College Cardiff Consultants Ltd (GB) | 2021-08-11 | — | — | EP | disclosed |
| WO-2020070503-A2 | CATALYST COMPOSITION | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD (GB) | 2020-04-09 | — | — | WO | disclosed |