⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL28466121 | 1.00 | — | — | |
| SCHEMBL3308281 | 0.95 | — | — | |
| Butane SCHEMBL1268678 | 0.86 | — | — | |
| SCHEMBL21927809 | 0.65 | — | — | |
| SCHEMBL10027733 | 0.64 | — | — | |
| Fluoride SCHEMBL28641316 | 0.63 | THRB (0.33) | — | |
| Ether SCHEMBL699018 | 0.63 | — | — | |
| Ether SCHEMBL659815 | 0.63 | — | — | |
| Ether SCHEMBL310584 | 0.63 | — | — | |
| SCHEMBL16005479 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013076646-A1 | A NEW DIAZA-BENZOFLUORANTHENE DERIVATIVE AS DRUG | RICHTER GEDEON NYRT. (HU) | 2013-05-30 | — | — | WO | claimed |
| CN-108864166-B | Oxazoline metal compound, preparation method thereof and application thereof as catalyst | 中国科学院长春应用化学研究所 | 2020-10-23 | — | — | CN | disclosed |