⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16042901 | 0.80 | — | — | |
| SCHEMBL29484652 | 0.79 | — | — | |
| SCHEMBL25524339 | 0.77 | — | — | |
| SCHEMBL138542 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL31195963 | 0.76 | — | — | |
| SCHEMBL28254144 | 0.68 | — | — | |
| SCHEMBL28720387 | 0.67 | — | — | |
| SCHEMBL29277834 | 0.65 | — | — | |
| SCHEMBL9315415 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL28619444 | 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 |
|---|---|---|---|---|---|---|---|
| US-20020055598-A1 | Acid activation of ruthenium metathesis catalysts and living ROMP metathesis polymerization in water | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2002-05-09 | — | — | US | disclosed |