⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1016582 | 0.73 | — | — | |
| SCHEMBL294410 | 0.65 | — | — | |
| SCHEMBL13221033 | 0.60 | — | — | |
| SCHEMBL8565788 | 0.60 | — | — | |
| SCHEMBL16595162 | 0.60 | — | — | |
| SCHEMBL117445 | 0.60 | — | — | |
| SCHEMBL87256 | 0.60 | — | — | |
| SCHEMBL1014199 | 0.58 | — | — | |
| SCHEMBL2954646 | 0.58 | — | — | |
| SCHEMBL26583204 | 0.57 | — | — |
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-2019183367-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |