⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26456430 | 0.89 | MCHR1 (0.35) | — | |
| SCHEMBL24914179 | 0.85 | GRM4 (0.30) | — | |
| SCHEMBL21430660 | 0.85 | GRM4 (0.30) | — | |
| SCHEMBL3385920 | 0.82 | SLC1A3 (0.30) | — | |
| SCHEMBL23126880 | 0.78 | — | — | |
| SCHEMBL24914248 | 0.77 | PIK3CD (0.34) | — | |
| SCHEMBL19879610 | 0.77 | SLC1A3 (0.42) | — | |
| SCHEMBL12015522 | 0.75 | — | — | |
| SCHEMBL21430659 | 0.75 | — | — | |
| SCHEMBL21429865 | 0.73 | IRAK4 (0.35) | — |
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-20230019236-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2023-01-19 | — | — | US | disclosed |