⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11336617 | 0.92 | — | — | |
| SCHEMBL11545322 | 0.92 | CNR1 (0.41) | — | |
| SCHEMBL11553291 | 0.92 | CNR1 (0.41) | — | |
| SCHEMBL11340124 | 0.92 | CNR1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL11704170 | 0.91 | — | — | |
| SCHEMBL11332053 | 0.86 | CNR2 (0.46) | — | |
| SCHEMBL11328740 | 0.85 | CNR2 (0.47) | — | |
| SCHEMBL11329040 | 0.84 | CNR2 (0.46) | — | |
| SCHEMBL11332426 | 0.84 | CNR2 (0.46) | — | |
| SCHEMBL11641648 | 0.80 | — | — |
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-4172943-A | ANALGESICS, TRANQUILIZERS, SEDATIVES, ANTIGLAUCOMA AGENTS | ABBOTT LABORATORIES (US) | 1979-10-30 | — | — | US | disclosed |