⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL449980 | 0.72 | — | — | |
| SCHEMBL451349 | 0.71 | — | — | |
| SCHEMBL1486046 | 0.68 | — | — | |
| SCHEMBL2551780 | 0.68 | MAOA (0.41) | — | |
| SCHEMBL744528 | 0.65 | LMNA (0.35) | — | |
| SCHEMBL3128 | 0.65 | — | — | |
| SCHEMBL2851479 | 0.65 | — | — | |
| SCHEMBL2526305 | 0.65 | — | — | |
| SCHEMBL106035 | 0.65 | — | — | |
| SCHEMBL12472418 | 0.64 | — | — |
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-5010074-A | Treating CNS disorders; dopamine antagonist; bioavailability | NOVO NORDISK A/S (DK) | 1991-04-23 | — | — | US | claimed |