⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5077494 | 0.94 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL7994447 | 0.92 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL7994444 | 0.92 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL914584 | 0.80 | — | — | |
| SCHEMBL23466920 | 0.78 | — | — | |
| SCHEMBL29073973 | 0.77 | TP53 (0.30) | — | |
| SCHEMBL3274924 | 0.75 | TRPA1 (0.32) | — | |
| SCHEMBL7992388 | 0.75 | — | — | |
| SCHEMBL9217303 | 0.75 | — | — | |
| SCHEMBL4744556 | 0.74 | KMT2A (0.33) | — |
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-6277790-B1 | APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-21 | — | — | US | disclosed |