⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11743164 | 0.87 | — | — | |
| SCHEMBL11738759 | 0.79 | CNR2 (0.39) | — | |
| SCHEMBL11744699 | 0.78 | CNR2 (0.56) | — | |
| SCHEMBL11749286 | 0.77 | — | — | |
| SCHEMBL11772484 | 0.75 | CNR1 (0.47) | — | |
| SCHEMBL11737598 | 0.75 | CNR2 (0.42) | — | |
| SCHEMBL11737259 | 0.74 | — | — | |
| Bromide SCHEMBL11731553 | 0.73 | — | — | |
| SCHEMBL11788430 | 0.72 | — | — | |
| SCHEMBL11735384 | 0.72 | CNR1 (0.59) | — |
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-4051152-A | TRANQUILIZERS, ANALGESICS | SHARPS ASSOCIATES (US) | 1977-09-27 | — | — | US | disclosed |