⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25584222 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL23508790 | 0.82 | — | — | |
| SCHEMBL24267992 | 0.77 | — | — | |
| SCHEMBL18781273 | 0.77 | — | — | |
| SCHEMBL25592905 | 0.73 | — | — | |
| SCHEMBL4185417 | 0.69 | — | — | |
| SCHEMBL25672503 | 0.69 | — | — | |
| SCHEMBL15428209 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL30194991 | 0.68 | — | — | |
| SCHEMBL16877828 | 0.66 | MEN1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021115286-A1 | SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |