⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL102231 | 0.79 | — | — | |
| SCHEMBL25143837 | 0.79 | — | — | |
| SCHEMBL16943592 | 0.78 | — | — | |
| SCHEMBL5986957 | 0.78 | — | — | |
| SCHEMBL18502135 | 0.76 | EPHX2 (0.35) | — | |
| SCHEMBL20121064 | 0.74 | — | — | |
| SCHEMBL22102124 | 0.74 | EPHX2 (0.34) | — | |
| SCHEMBL20696777 | 0.74 | CTSK (0.32) | — | |
| SCHEMBL15684120 | 0.74 | — | — | |
| SCHEMBL18969298 | 0.73 | — | — |
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-20230321253-A1 | BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF | Risen (Suzhou) Pharma Tech Co., Ltd. (CN) | 2023-10-12 | — | — | US | disclosed |