⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL40289 | 0.97 | — | — | |
| SCHEMBL29729074 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL30464867 | 0.94 | — | — | |
| SCHEMBL21045448 | 0.84 | PIK3CD (0.41) | — | |
| Formic Acid Methyl Ester SCHEMBL28834546 | 0.79 | ALOX5AP (0.36) | — | |
| SCHEMBL647114 | 0.78 | — | — | |
| SCHEMBL423198 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29354497 | 0.75 | HSP90AA1 (0.47) | — | |
| Cyclopropanecarboxylic Acid Amide SCHEMBL3460472 | 0.74 | CYP3A4 (0.36) | — | |
| SCHEMBL13606491 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3472154-A1 | COMPOUNDS | Enterprise Therapeutics Limited (GB) | 2019-04-24 | — | — | EP | disclosed |
| WO-2017221008-A1 | COMPOUNDS | Enterprise Therapeutics Limited (GB) | 2017-12-28 | — | — | WO | disclosed |