⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18737374 | 0.92 | DNM1 (0.30) | — | |
| SCHEMBL21969432 | 0.83 | DNM1 (0.30) | — | |
| SCHEMBL10281414 | 0.78 | — | — | |
| SCHEMBL20214874 | 0.78 | DNM1 (0.46) | — | |
| SCHEMBL21016192 | 0.78 | — | — | |
| SCHEMBL23902115 | 0.75 | — | — | |
| SCHEMBL22353248 | 0.74 | — | — | |
| SCHEMBL2975409 | 0.74 | — | — | |
| SCHEMBL23945476 | 0.73 | — | — | |
| SCHEMBL10953399 | 0.72 | DNM1 (0.50) | — |
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-20180037572-A1 | UREA DERIVATIVES AND USES THEREOF | KALA BIO, Inc. | 2018-02-08 | — | — | US | disclosed |