⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5276085 | 0.86 | MAOB (0.33) | — | |
| SCHEMBL5279446 | 0.82 | GABRB3 (0.39) | — | |
| SCHEMBL5281595 | 0.80 | GABRB3 (0.35) | — | |
| SCHEMBL5277152 | 0.79 | — | — | |
| SCHEMBL5278793 | 0.79 | MAOB (0.38) | — | |
| SCHEMBL5283823 | 0.77 | MAOB (0.34) | — | |
| SCHEMBL5279807 | 0.77 | MAOB (0.32) | — | |
| SCHEMBL5286592 | 0.74 | MAOB (0.37) | — | |
| SCHEMBL5278231 | 0.73 | GABRB3 (0.40) | — | |
| SCHEMBL23694373 | 0.72 | HDAC8 (0.33) | — |
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-9901647-B2 | Conjugates comprising cell-binding agents and cytotoxic agents | IMMUNOGEN, INC. (US) | 2018-02-27 | — | — | US | disclosed |