⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11321053 | 0.89 | CNR2 (0.41) | — | |
| SCHEMBL11333465 | 0.88 | — | — | |
| SCHEMBL11613806 | 0.85 | CNR2 (0.41) | — | |
| SCHEMBL11324382 | 0.83 | — | — | |
| SCHEMBL11324386 | 0.80 | CNR2 (0.42) | — | |
| SCHEMBL11616861 | 0.76 | CCNC (0.36) | — | |
| SCHEMBL11321070 | 0.75 | CNR2 (0.55) | — | |
| SCHEMBL11321121 | 0.74 | CNR2 (0.46) | — | |
| SCHEMBL11321088 | 0.74 | CNR2 (0.42) | — | |
| SCHEMBL11319392 | 0.73 | CNR2 (0.47) | — |
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-4111942-A | ANALGESIC, TRANQUILIZER, SEDATIVE-HYPNOTIC | ABBOTT LABORATORIES (US) | 1978-09-05 | — | — | US | disclosed |