⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11936851 | 1.00 | — | — | |
| SCHEMBL731109 | 1.00 | — | — | |
| SCHEMBL6201791 | 1.00 | ALDH1A1 (0.61) | — | |
| SCHEMBL733280 | 1.00 | ALDH1A1 (0.61) | — | |
| SCHEMBL733279 | 1.00 | ALDH1A1 (0.61) | — | |
| SCHEMBL12430395 | 1.00 | ALDH1A1 (0.61) | — | |
| SCHEMBL4907910 | 1.00 | ALDH1A1 (0.61) | — | |
| SCHEMBL13083556 | 1.00 | — | — | |
| SCHEMBL6201794 | 1.00 | ALDH1A1 (0.61) | — | |
| SCHEMBL329325 | 1.00 | — | — |
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-20100279986-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-11-04 | — | — | US | disclosed |