⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21114358 | 0.96 | CAMK2A (0.62) | — | |
| SCHEMBL28580 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL3129230 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL9397069 | 0.92 | CAMK2A (0.59) | — | |
| SCHEMBL9510302 | 0.92 | — | — | |
| Methane SCHEMBL15543544 | 0.92 | — | — | |
| SCHEMBL5974270 | 0.92 | — | — | |
| SCHEMBL10506357 | 0.92 | — | — | |
| SCHEMBL21523226 | 0.92 | — | — | |
| SCHEMBL15741468 | 0.92 | — | — |
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-6271157-B1 | MIXED OXIDE | Vignali, Graziano (IT) | 2001-08-07 | — | — | US | disclosed |