⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2887326 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11484689 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL8462888 | 0.74 | — | — | |
| SCHEMBL8276922 | 0.70 | — | — | |
| SCHEMBL23111012 | 0.67 | — | — | |
| SCHEMBL11743476 | 0.67 | INMT (0.67) | — | |
| SCHEMBL1177147 | 0.67 | — | — | |
| SCHEMBL12256345 | 0.64 | — | — | |
| SCHEMBL158498 | 0.64 | — | — | |
| SCHEMBL9020969 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1934238-B1 | TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | MELINTA THERAPEUTICS INC (US) | 2017-06-28 | — | — | EP | disclosed |