⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16804114 | 0.78 | MEN1 (0.35) | — | |
| SCHEMBL16781368 | 0.73 | KMT2A (0.44) | — | |
| SCHEMBL16804113 | 0.73 | KMT2A (0.44) | — | |
| SCHEMBL19084383 | 0.73 | CA1 (0.36) | — | |
| SCHEMBL6033629 | 0.67 | KEAP1 (0.36) | — | |
| SCHEMBL15494108 | 0.67 | PEPD (0.41) | — | |
| SCHEMBL14340647 | 0.67 | PEPD (0.41) | — | |
| SCHEMBL12942860 | 0.67 | PEPD (0.41) | — | |
| SCHEMBL23819458 | 0.63 | PEPD (0.45) | — | |
| SCHEMBL15494112 | 0.63 | PEPD (0.45) | — |
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-9606132-B2 | Methods of monitoring adherence to lurasidone therapy | AMERITOX, LTD. (US) | 2017-03-28 | — | — | US | disclosed |