⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11721730 | 0.99 | CNR1 (0.33) | — | |
| Nabitan SCHEMBL31402797 | 0.94 | — | — | |
| Nabitan SCHEMBL122778 | 0.93 | — | — | |
| Bromide SCHEMBL11717524 | 0.92 | — | — | |
| SCHEMBL11720523 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL11722541 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL11715874 | 0.91 | — | — | |
| SCHEMBL11715005 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL11714157 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL11870301 | 0.90 | CNR2 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3991194-A | Heterocyclic esters of benzopyranopyridines | SHARPS ASSOCIATES (US) | 1976-11-09 | — | — | US | claimed |
| US-4042694-A | ANALGESICS | SHARPS ASSOCIATES (US) | 1977-08-16 | — | — | US | disclosed |