⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL776569 | 0.80 | — | — | |
| SCHEMBL19092506 | 0.78 | CA1 (0.55) | — | |
| SCHEMBL16045111 | 0.78 | CA1 (0.55) | — | |
| SCHEMBL9524276 | 0.78 | — | — | |
| SCHEMBL10417290 | 0.78 | CA1 (0.55) | — | |
| SCHEMBL1399160 | 0.76 | CA1 (0.52) | — | |
| SCHEMBL4635514 | 0.76 | CA1 (0.52) | — | |
| Ethylene SCHEMBL27615737 | 0.75 | CA1 (0.46) | — | |
| SCHEMBL16046087 | 0.74 | CA1 (0.50) | — | |
| Dimethylamine SCHEMBL19259850 | 0.74 | CA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5076831-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |
| EP-0430004-A2 | 1,8-Naphthalimides as antidotes | BASF Aktiengesellschaft (DE) | 1991-06-05 | — | — | EP | disclosed |