⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23398396 | 0.77 | ALKBH3 (0.31) | — | |
| SCHEMBL23399878 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL23402619 | 0.69 | NPC1 (0.38) | — | |
| SCHEMBL23400783 | 0.66 | KDM4E (0.44) | — | |
| SCHEMBL23401671 | 0.66 | GAA (0.58) | — | |
| SCHEMBL23403594 | 0.65 | HSD17B10 (0.31) | — | |
| SCHEMBL23401086 | 0.64 | — | — | |
| SCHEMBL23398894 | 0.63 | — | — | |
| SCHEMBL23400317 | 0.63 | — | — | |
| SCHEMBL23399977 | 0.61 | KDM4E (0.32) | — |
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-10730906-B2 | Multi-step synthesis of templated molecules | NUEVOLUTIONS A/S (DK) | 2020-08-04 | — | — | US | disclosed |