⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2894328 | 0.85 | — | — | |
| SCHEMBL2894673 | 0.83 | — | — | |
| SCHEMBL2896926 | 0.82 | — | — | |
| SCHEMBL3892047 | 0.77 | — | — | |
| Ethyne SCHEMBL9861196 | 0.73 | — | — | |
| SCHEMBL197249 | 0.72 | — | — | |
| Water SCHEMBL27503697 | 0.70 | — | — | |
| Carbon Monoxide SCHEMBL9861215 | 0.66 | — | — | |
| Carbon Dioxide SCHEMBL27503332 | 0.65 | — | — | |
| Naphthalene SCHEMBL28088105 | 0.61 | CYP2A6 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100286423-A1 | NICKEL-CONTAINING FILM-FORMING MATERIAL AND PROCESS FOR PRODUCING NICKEL-CONTAINING FILM | SHOWA DENKO K.K. (JP) | 2010-11-11 | — | — | US | claimed |
| US-20100286423-A1 | NICKEL-CONTAINING FILM-FORMING MATERIAL AND PROCESS FOR PRODUCING NICKEL-CONTAINING FILM | SHOWA DENKO K.K. (JP) | 2010-11-11 | — | — | US | disclosed |