⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL27676747 | 0.97 | — | — | |
| Methane SCHEMBL28209639 | 0.94 | — | — | |
| SCHEMBL4871212 | 0.94 | — | — | |
| SCHEMBL4867670 | 0.94 | — | — | |
| SCHEMBL154271 | 0.94 | — | — | |
| SCHEMBL27627623 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL28110713 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL7704631 | 0.92 | — | — | |
| Benzene SCHEMBL27616213 | 0.89 | RNPEP (0.50) | — | |
| Methyl Alcohol SCHEMBL28214710 | 0.89 | RNPEP (0.50) | — |
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-5583243-A | NUTRITIONAL SUPPLEMENTS | ZINPRO CORPORATION (US) | 1996-12-10 | — | — | US | disclosed |