⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4167356 | 0.76 | — | — | |
| SCHEMBL14061783 | 0.72 | — | — | |
| SCHEMBL27633351 | 0.71 | — | — | |
| SCHEMBL21370470 | 0.71 | — | — | |
| SCHEMBL5138130 | 0.71 | CYP1A2 (0.38) | — | |
| SCHEMBL22837863 | 0.69 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL16636401 | 0.68 | APLNR (0.30) | — | |
| SCHEMBL28176784 | 0.65 | — | — | |
| SCHEMBL13104838 | 0.64 | — | — | |
| SCHEMBL13061947 | 0.64 | — | — |
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-10329280-B2 | Urea derivatives and uses thereof | KALA PHARMACEUTICALS, INC. (US) | 2019-06-25 | — | — | US | disclosed |