⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11751953 | 0.93 | — | — | |
| SCHEMBL11679010 | 0.91 | — | — | |
| Bromide SCHEMBL11678078 | 0.91 | — | — | |
| SCHEMBL11680357 | 0.84 | CNR2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL11678727 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL11753863 | 0.79 | — | — | |
| SCHEMBL11749286 | 0.78 | — | — | |
| SCHEMBL11678402 | 0.77 | CNR2 (0.35) | — | |
| SCHEMBL11680076 | 0.75 | CNR2 (0.55) | — | |
| SCHEMBL11737014 | 0.75 | CNR1 (0.61) | — |
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-4020163-A | Use of heterocyclic esters of 5H-[1]benzopyrano [3,4-b]pyridines as analgesics | SHARPS ASSOCIATES (US) | 1977-04-26 | — | — | US | disclosed |