⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19100297 | 0.75 | — | — | |
| SCHEMBL29391076 | 0.75 | — | — | |
| SCHEMBL56192 | 0.75 | — | — | |
| SCHEMBL30901327 | 0.75 | — | — | |
| SCHEMBL858342 | 0.75 | — | — | |
| SCHEMBL5132399 | 0.73 | — | — | |
| SCHEMBL23304154 | 0.71 | — | — | |
| SCHEMBL11498452 | 0.71 | — | — | |
| SCHEMBL264246 | 0.71 | — | — | |
| SCHEMBL12992242 | 0.71 | — | — |
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-20080267887-A1 | Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds | NEUROGEN CORPORATION (US) | 2008-10-30 | — | — | US | disclosed |