⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20114778 | 0.81 | — | — | |
| SCHEMBL5574136 | 0.70 | — | — | |
| SCHEMBL7595387 | 0.65 | KMT2A (0.39) | — | |
| SCHEMBL6649117 | 0.64 | — | — | |
| SCHEMBL8396750 | 0.64 | — | — | |
| SCHEMBL380104 | 0.61 | — | — | |
| SCHEMBL9614677 | 0.58 | — | — | |
| SCHEMBL22433147 | 0.57 | — | — | |
| SCHEMBL1650923 | 0.56 | — | — | |
| SCHEMBL1064651 | 0.56 | — | — |
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-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |