⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11415333 | 0.77 | — | — | |
| SCHEMBL10784830 | 0.77 | — | — | |
| SCHEMBL1857 | 0.76 | — | — | |
| SCHEMBL6258096 | 0.76 | — | — | |
| SCHEMBL369 | 0.76 | — | — | |
| SCHEMBL9308557 | 0.68 | — | — | |
| Methane SCHEMBL11135122 | 0.68 | — | — | |
| Bromide SCHEMBL7937924 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL178238 | 0.68 | — | — | |
| SCHEMBL31440793 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0112710-A1 | Fluoran derivatives | KANZAKI PAPER MANUFACTURING CO., LTD (JP) | 1984-07-04 | — | — | EP | claimed |
| CN-108623541-A | A kind of preparation method of hexichol pyrazine compound | 成都苑东生物制药股份有限公司 | 2018-10-09 | — | — | CN | disclosed |
| CN-101367851-A | Oligosaccharide derivative | SANKYO CO (JP) | 2009-02-18 | — | — | CN | disclosed |
| CN-100360548-C | Oligosaccharide Derivatives | SANKYO CO (JP) | 2008-01-09 | — | — | CN | disclosed |
| CN-1768073-A | Oligosaccharide Derivatives | SANKYO CO (JP) | 2006-05-03 | — | — | CN | disclosed |
| US-4021494-A | CYCLOHEXADIENONE, ACETYLENIC COMPOUND; HYDROGENATION, CYCLIZATION | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-05-03 | — | — | US | disclosed |