⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6223633 | 0.85 | — | — | |
| SCHEMBL505953 | 0.85 | — | — | |
| SCHEMBL1149060 | 0.83 | — | — | |
| Formaldehyde SCHEMBL9014350 | 0.79 | APEX1 (0.38) | — | |
| SCHEMBL5827456 | 0.79 | CA2 (0.32) | — | |
| Sulfuric Acid SCHEMBL27311595 | 0.79 | CA5A (0.43) | — | |
| SCHEMBL9249146 | 0.76 | — | — | |
| SCHEMBL11687102 | 0.76 | APEX1 (0.36) | — | |
| SCHEMBL11139493 | 0.76 | APEX1 (0.36) | — | |
| SCHEMBL8091230 | 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-10207989-B2 | Substituted alkyl diaryl derivatives, methods of preparation and uses | Temple University—Of the Commonwealth System of Higher Education (US) | 2019-02-19 | — | — | US | disclosed |