⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2636786 | 1.00 | — | — | |
| SCHEMBL13979143 | 1.00 | — | — | |
| SCHEMBL3827437 | 1.00 | — | — | |
| SCHEMBL3827455 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7807610 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL7080825 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL7080827 | 0.99 | — | — | |
| SCHEMBL4589760 | 0.99 | — | — | |
| SCHEMBL13979122 | 0.88 | — | — | |
| SCHEMBL1267675 | 0.86 | MEN1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1119553-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000020390-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2000-04-13 | — | — | WO | disclosed |