⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12517079 | 1.00 | — | — | |
| SCHEMBL24991740 | 0.85 | KMT2A (0.34) | — | |
| SCHEMBL12809446 | 0.83 | — | — | |
| SCHEMBL8339261 | 0.75 | — | — | |
| SCHEMBL65642 | 0.75 | — | — | |
| SCHEMBL84592 | 0.75 | — | — | |
| SCHEMBL933210 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL20907336 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL19366623 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL18405394 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1323710-B1 | NITROGENOUS FIVE-MEMBERED RING COMPOUNDS | MITSUBISHI TANABE PHARMA CORP (JP) | 2008-09-10 | — | — | EP | disclosed |