⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11558451 | 0.83 | — | — | |
| SCHEMBL11545856 | 0.80 | CNR2 (0.39) | — | |
| SCHEMBL11542297 | 0.78 | CNR2 (0.40) | — | |
| SCHEMBL11545793 | 0.76 | — | — | |
| SCHEMBL11554822 | 0.76 | CNR2 (0.43) | — | |
| SCHEMBL11557352 | 0.75 | CNR2 (0.42) | — | |
| SCHEMBL11545030 | 0.75 | — | — | |
| SCHEMBL11542167 | 0.75 | — | — | |
| SCHEMBL11555628 | 0.75 | CNR2 (0.37) | — | |
| SCHEMBL11558702 | 0.75 | CNR2 (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4157937-A | Resole resin and polyvinyl acetate impregnated filter paper | MONSANTO COMPANY (US) | 1979-06-12 | — | — | US | disclosed |
| US-4152327-A | ANALGESICS, TRANQUILIZERS, SEDATIVES | ABBOTT LABORATORIES (US) | 1979-05-01 | — | — | US | disclosed |
| US-4137232-A | TRANQUILIZERS, ANALGESICS, SEDATIVES, HYPNOTICS | ABBOTT LABORATORIES (US) | 1979-01-30 | — | — | US | disclosed |