⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27264404 | 0.72 | — | — | |
| SCHEMBL10637203 | 0.69 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL10805452 | 0.68 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL892874 | 0.67 | — | — | |
| SCHEMBL1171502 | 0.67 | — | — | |
| SCHEMBL27566530 | 0.67 | — | — | |
| SCHEMBL4825618 | 0.67 | — | — | |
| SCHEMBL3504447 | 0.67 | — | — | |
| SCHEMBL28845485 | 0.65 | — | — | |
| SCHEMBL27416051 | 0.65 | — | — |
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-5643878-A | TREATMENT OF RETROVIRAL DISEASES LIKE AIDS | CIBA-GEIGY CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |