⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL191345 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL14117987 | 0.73 | TGM2 (0.33) | — | |
| SCHEMBL18862023 | 0.64 | — | — | |
| SCHEMBL2047647 | 0.64 | — | — | |
| SCHEMBL4500914 | 0.63 | — | — | |
| SCHEMBL4502012 | 0.63 | — | — | |
| SCHEMBL4507400 | 0.63 | — | — | |
| SCHEMBL6070428 | 0.63 | — | — | |
| SCHEMBL18729170 | 0.63 | — | — | |
| SCHEMBL844611 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160155955-A1 | DICARBAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES | HODOGAYA CHEMICAL CO., LTD. (JP) | 2016-06-02 | — | — | US | disclosed |