⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18661097 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL19404143 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL10783168 | 0.69 | — | — | |
| SCHEMBL28264390 | 0.69 | — | — | |
| SCHEMBL28264408 | 0.69 | — | — | |
| SCHEMBL8057848 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL18313070 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL7155211 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL5971394 | 0.64 | — | — | |
| SCHEMBL339036 | 0.64 | — | — |
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-9120814-B2 | Compounds with embedded benzopyran motif for core structures and preparation method thereof | SNU R&DB FOUNDATION (KR) | 2015-09-01 | — | — | US | disclosed |