⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11333645 | 0.88 | CNR2 (0.45) | — | |
| SCHEMBL11336617 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11704170 | 0.79 | — | — | |
| SCHEMBL11333245 | 0.78 | CNR2 (0.40) | — | |
| SCHEMBL31545877 | 0.77 | — | — | |
| SCHEMBL11738579 | 0.77 | — | — | |
| SCHEMBL11735384 | 0.76 | CNR1 (0.59) | — | |
| SCHEMBL11679010 | 0.74 | — | — | |
| SCHEMBL11326234 | 0.74 | — | — | |
| Bromide SCHEMBL11678078 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4305938-A | HYPOTENSIVE | ABBOTT LABORATORIES (US) | 1981-12-15 | — | — | US | claimed |
| US-4305938-A | HYPOTENSIVE | ABBOTT LABORATORIES (US) | 1981-12-15 | — | — | US | disclosed |