⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11007819 | 0.70 | — | — | |
| SCHEMBL4748741 | 0.56 | CYP3A4 (0.30) | — | |
| SCHEMBL976613 | 0.56 | — | — | |
| SCHEMBL7607900 | 0.55 | — | — | |
| SCHEMBL1887298 | 0.52 | — | — | |
| SCHEMBL6436117 | 0.49 | — | — | |
| SCHEMBL5318896 | 0.49 | — | — | |
| SCHEMBL21819622 | 0.48 | SLC2A1 (0.36) | — | |
| SCHEMBL16612487 | 0.47 | GSK3B (0.32) | — | |
| SCHEMBL31557550 | 0.47 | NSD2 (0.34) | — |
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-5804584-A | USEFUL IN TREATING INDIVIDUALS HAVING A DISEASE OR TREATMENT-INDUCED TOXICITY, MEDIATED BY SECOND MESSENGER ACTIVITY | CELL THERAPEUTICS, INC. (US) | 1998-09-08 | — | — | US | claimed |