⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26531503 | 0.77 | — | — | |
| SCHEMBL18964274 | 0.74 | — | — | |
| SCHEMBL18163786 | 0.70 | — | — | |
| SCHEMBL2910047 | 0.70 | — | — | |
| SCHEMBL19853496 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL291875 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL18806874 | 0.67 | — | — | |
| SCHEMBL18388358 | 0.67 | — | — | |
| SCHEMBL291406 | 0.65 | — | — | |
| SCHEMBL19232448 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3325482-B1 | METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES | IMMUNOGEN INC (US) | 2020-06-24 | — | — | EP | disclosed |