⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2389874 | 0.81 | KMT2A (0.36) | — | |
| SCHEMBL22445230 | 0.79 | — | — | |
| SCHEMBL28704522 | 0.79 | TLR8 (0.34) | — | |
| SCHEMBL22657151 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL22445382 | 0.77 | DNM2 (0.31) | — | |
| SCHEMBL22445475 | 0.76 | — | — | |
| SCHEMBL2493925 | 0.76 | KMT2A (0.35) | — | |
| SCHEMBL22445264 | 0.74 | BCHE (0.32) | — | |
| SCHEMBL29232760 | 0.74 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL22445306 | 0.74 | LRRK2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114144230-A | Macrocyclic azolopyridine derivatives as EED and PRC2 modulators | 弗尔康医疗公司 | 2022-03-04 | — | — | CN | disclosed |