⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21466964 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL28200616 | 0.79 | — | — | |
| SCHEMBL31748298 | 0.73 | CAPN1 (0.46) | — | |
| SCHEMBL2239840 | 0.70 | — | — | |
| SCHEMBL28268447 | 0.69 | GRIN2D (0.39) | — | |
| SCHEMBL149323 | 0.67 | — | — | |
| SCHEMBL26790017 | 0.66 | MAPT (0.48) | — | |
| SCHEMBL21924998 | 0.66 | HCAR2 (0.36) | — | |
| SCHEMBL21467014 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL11503623 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210115038-A1 | MALIC ENZYME INHIBITORS | SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) | 2021-04-22 | — | — | US | disclosed |
| WO-2017172596-A1 | PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS | INCYTE CORPORATION (US) | 2017-10-05 | — | — | WO | disclosed |