⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6527023 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6528248 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL3096077 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL5950281 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6446337 | 0.72 | — | — | |
| SCHEMBL6454081 | 0.70 | — | — | |
| SCHEMBL13320495 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2842245 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2842249 | 0.69 | — | — | |
| SCHEMBL1253130 | 0.67 | — | — |
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-1575951-A1 | HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY | Affinium Pharmaceuticals, Inc. (CA) | 2005-09-21 | — | — | EP | claimed |
| WO-2004052890-A1 | HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2004-06-24 | — | — | WO | claimed |