⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9738482 | 0.97 | — | — | |
| SCHEMBL10435016 | 0.75 | — | — | |
| SCHEMBL11418890 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL11415809 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL11409411 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL11419064 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL11410810 | 0.71 | — | — | |
| SCHEMBL28000040 | 0.69 | — | — | |
| SCHEMBL27850925 | 0.69 | — | — | |
| SCHEMBL11422152 | 0.69 | — | — |
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-4115415-A | FROM ALKYLENE OXIDES | NISSO PETROCHEMICAL INDUSTRIES CO., LTD. (JP) | 1978-09-19 | — | — | US | disclosed |
| US-4022808-A | ZINC-ALUMINUM-TITANIUM-TIN-IRON OR GROUP 5A AS CATALYSTS | NIPPON SODA COMPANY LIMITED (JA) | 1977-05-10 | — | — | US | disclosed |