⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18970300 | 0.95 | — | — | |
| SCHEMBL17366364 | 0.86 | — | — | |
| SCHEMBL19826377 | 0.84 | ACHE (0.34) | — | |
| SCHEMBL24080830 | 0.74 | PGK1 (0.43) | — | |
| SCHEMBL22273431 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL17506714 | 0.74 | ACHE (0.42) | — | |
| SCHEMBL11287516 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL18292655 | 0.74 | — | — | |
| SCHEMBL18292827 | 0.74 | ACHE (0.42) | — | |
| SCHEMBL17230076 | 0.70 | GRIN2B (0.48) | — |
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-3100745-A1 | NOVEL BENZODIAZEPINE DERIVATIVES | Immunogen, Inc. (US) | 2016-12-07 | — | — | EP | disclosed |