⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20007956 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL20008366 | 0.76 | — | — | |
| SCHEMBL21088130 | 0.76 | — | — | |
| SCHEMBL418177 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL591333 | 0.68 | — | — | |
| SCHEMBL24181925 | 0.67 | — | — | |
| SCHEMBL21287129 | 0.66 | MAOA (0.61) | — | |
| SCHEMBL24187935 | 0.66 | — | — | |
| SCHEMBL590791 | 0.66 | — | — | |
| SCHEMBL23602016 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3515916-B1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS INC (US) | 2023-06-07 | — | — | EP | disclosed |
| WO-2018057884-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2018-03-29 | — | — | WO | disclosed |