⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11800266 | 1.00 | — | — | |
| SCHEMBL11813507 | 0.80 | — | — | |
| SCHEMBL24661206 | 0.80 | — | — | |
| SCHEMBL11824515 | 0.80 | — | — | |
| SCHEMBL11813500 | 0.80 | — | — | |
| SCHEMBL22694710 | 0.78 | — | — | |
| SCHEMBL28776364 | 0.78 | — | — | |
| SCHEMBL6655197 | 0.76 | KMT2A (0.68) | — | |
| SCHEMBL562939 | 0.76 | KMT2A (0.68) | — | |
| SCHEMBL459333 | 0.76 | KMT2A (0.68) | — |
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-3996303-A | Organic halide | KURARAY CO., LTD. (JA) | 1976-12-07 | — | — | US | disclosed |