⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45002 | 0.93 | — | — | |
| SCHEMBL7648923 | 0.66 | — | — | |
| Formamide SCHEMBL29637862 | 0.62 | — | — | |
| SCHEMBL1044213 | 0.62 | — | — | |
| Ozone SCHEMBL2338704 | 0.57 | — | — | |
| Nitric Oxide SCHEMBL951135 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL28526767 | 0.57 | — | — | |
| Hydrogen Sulfide SCHEMBL2126737 | 0.54 | — | — | |
| Hydrogen Sulfide SCHEMBL28283642 | 0.54 | — | — | |
| SCHEMBL10354529 | 0.51 | — | — |
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-6197857-B1 | MOLDING MATERIALS | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2001-03-06 | — | — | US | disclosed |