⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7980525 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL7992385 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL7994797 | 0.85 | — | — | |
| SCHEMBL7991320 | 0.83 | — | — | |
| SCHEMBL8111339 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL7980435 | 0.80 | — | — | |
| SCHEMBL7992376 | 0.78 | KDM4E (0.36) | — | |
| SCHEMBL4402509 | 0.77 | — | — | |
| SCHEMBL21551780 | 0.77 | — | — | |
| SCHEMBL553473 | 0.77 | — | — |
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 |