⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7785459 | 1.00 | — | — | |
| SCHEMBL7120379 | 0.85 | — | — | |
| SCHEMBL3970107 | 0.80 | OPRD1 (0.41) | — | |
| SCHEMBL6692977 | 0.80 | OPRD1 (0.41) | — | |
| SCHEMBL290880 | 0.80 | — | — | |
| SCHEMBL327601 | 0.80 | OPRD1 (0.41) | — | |
| Bromide SCHEMBL7969410 | 0.77 | OPRD1 (0.40) | — | |
| SCHEMBL10829080 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL1489209 | 0.75 | — | — | |
| SCHEMBL88222 | 0.75 | — | — |
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-4518799-A | GRIGNARD REAGENTS AND THEIR PREPARATION | THE UPJOHN COMPANY (US) | 1985-05-21 | — | — | US | claimed |