⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22048913 | 1.00 | — | — | |
| SCHEMBL21451657 | 0.89 | PTPN11 (0.34) | — | |
| SCHEMBL21887304 | 0.89 | PTPN11 (0.34) | — | |
| SCHEMBL19756492 | 0.84 | CYP2D6 (0.40) | — | |
| SCHEMBL21451660 | 0.84 | CYP2D6 (0.40) | — | |
| SCHEMBL21451639 | 0.84 | CYP2D6 (0.40) | — | |
| SCHEMBL19756479 | 0.77 | CYP2D6 (0.34) | — | |
| SCHEMBL22520410 | 0.75 | PTPN11 (0.37) | — | |
| SCHEMBL22393475 | 0.75 | PTPN11 (0.37) | — | |
| SCHEMBL22393613 | 0.75 | PTPN11 (0.37) | — |
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-20200062760-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2020-02-27 | — | — | US | disclosed |