⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27847813 | 0.78 | — | — | |
| SCHEMBL9602645 | 0.78 | — | — | |
| SCHEMBL7354366 | 0.77 | KMT2A (0.47) | — | |
| SCHEMBL7296497 | 0.75 | HTT (0.46) | — | |
| SCHEMBL30803986 | 0.75 | — | — | |
| SCHEMBL1319442 | 0.75 | — | — | |
| SCHEMBL1416341 | 0.74 | HSP90AA1 (0.52) | — | |
| SCHEMBL11193955 | 0.74 | PKM (0.42) | — | |
| SCHEMBL4681378 | 0.72 | KMT2A (0.41) | — | |
| SCHEMBL4681376 | 0.72 | KMT2A (0.41) | — |
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-20120270938-A1 | SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-10-25 | — | — | US | disclosed |