⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26098921 | 1.00 | — | — | |
| SCHEMBL26098992 | 0.78 | ESR1 (0.32) | — | |
| SCHEMBL21358038 | 0.78 | ESR1 (0.32) | — | |
| SCHEMBL21359929 | 0.77 | — | — | |
| SCHEMBL21360015 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL26099669 | 0.75 | — | — | |
| SCHEMBL26467602 | 0.74 | PTPN1 (0.33) | — | |
| SCHEMBL26467780 | 0.74 | PTPN1 (0.33) | — | |
| SCHEMBL26099154 | 0.73 | DUT (0.32) | — | |
| SCHEMBL21358326 | 0.71 | KDM4E (0.30) | — |
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-20230140132-A1 | ARGINASE INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC (US) | 2023-05-04 | — | — | US | disclosed |