⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL243287 | 0.70 | — | — | |
| SCHEMBL80093 | 0.67 | — | — | |
| SCHEMBL4392555 | 0.67 | — | — | |
| SCHEMBL10491656 | 0.67 | — | — | |
| SCHEMBL6859057 | 0.67 | — | — | |
| SCHEMBL4401210 | 0.67 | — | — | |
| SCHEMBL21250 | 0.67 | — | — | |
| SCHEMBL8179765 | 0.65 | — | — | |
| SCHEMBL199511 | 0.64 | — | — | |
| SCHEMBL5637115 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1684682-A | Small organic molecules that increase the activity of gelatinase A in ocular cells | BAUSCH & LOMB (US) | 2005-10-19 | — | — | CN | disclosed |
| US-6204222-B1 | SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-20 | — | — | US | disclosed |
| US-5817603-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |