⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13867265 | 0.78 | — | — | |
| SCHEMBL1715206 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL11997949 | 0.73 | — | — | |
| SCHEMBL16233275 | 0.73 | — | — | |
| SCHEMBL13433745 | 0.73 | — | — | |
| SCHEMBL1715738 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL1715253 | 0.71 | — | — | |
| SCHEMBL14906250 | 0.71 | — | — | |
| SCHEMBL12424648 | 0.69 | — | — | |
| SCHEMBL18086916 | 0.69 | ALDH1A1 (0.48) | — |
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-2614054-B1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2014-11-19 | — | — | EP | disclosed |