⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11228571 | 0.91 | LMNA (0.31) | — | |
| SCHEMBL11236610 | 0.83 | TDP1 (0.31) | — | |
| SCHEMBL11233365 | 0.79 | — | — | |
| SCHEMBL11591305 | 0.69 | — | — | |
| SCHEMBL28208724 | 0.68 | FDPS (0.35) | — | |
| SCHEMBL20203579 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL2637709 | 0.65 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL11237797 | 0.64 | TDP1 (0.37) | — | |
| Fluoride SCHEMBL30801645 | 0.64 | LMNA (0.42) | — | |
| SCHEMBL27528570 | 0.63 | ALDH1A1 (0.37) | — |
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-4326054-A | ANTIBIOTIC AND ANTITUMOR AGENT | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1982-04-20 | — | — | US | disclosed |