⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23531367 | 0.77 | HIF1A (0.42) | — | |
| SCHEMBL21487662 | 0.74 | — | — | |
| SCHEMBL7820391 | 0.74 | — | — | |
| SCHEMBL8339214 | 0.73 | LMNA (0.40) | — | |
| SCHEMBL1971344 | 0.73 | — | — | |
| SCHEMBL5877581 | 0.72 | HIF1A (0.32) | — | |
| SCHEMBL17550769 | 0.70 | ADH1B (0.52) | — | |
| SCHEMBL16416853 | 0.69 | — | — | |
| SCHEMBL28648180 | 0.69 | — | — | |
| SCHEMBL4812119 | 0.69 | CA1 (0.39) | — |
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-4355184-A | BY REACTING AN ALDEHYDE WITH AN ALKALI METAL SALT OF ACETOACETIC | NIPPON SODA COMPANY LIMITED (JP) | 1982-10-19 | — | — | US | disclosed |
| US-4122079-A | Reactive azo dyestuffs from diazotized sulfo-amino naphthalenes and diaminosulfobenzenes | BAYER AKTIENGESELLSCHAFT (DE) | 1978-10-24 | — | — | US | disclosed |