⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11749286 | 0.90 | — | — | |
| SCHEMBL11679010 | 0.88 | — | — | |
| Bromide SCHEMBL11678078 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11745738 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL11679783 | 0.83 | — | — | |
| SCHEMBL11751953 | 0.81 | — | — | |
| SCHEMBL11678435 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL11678727 | 0.76 | KDM4E (0.36) | — | |
| SCHEMBL11640993 | 0.74 | — | — | |
| SCHEMBL11333465 | 0.73 | — | — |
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-4029665-A | ANTICONVULSANTS | ABBOTT LABORATORIES (US) | 1977-06-14 | — | — | US | disclosed |