⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29727484 | 0.74 | — | — | |
| SCHEMBL6249651 | 0.72 | NOS3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7777100 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7772786 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7772740 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7780276 | 0.72 | — | — | |
| SCHEMBL6248794 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6254211 | 0.69 | — | — | |
| SCHEMBL7142862 | 0.68 | — | — | |
| SCHEMBL28431010 | 0.68 | — | — |
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-0780395-A1 | Catalysts for the polymerization of alpha-olefins | ENICHEM S.p.A. (IT) | 1997-06-25 | — | — | EP | disclosed |