⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7453422 | 0.70 | PRSS1 (0.39) | — | |
| SCHEMBL6000304 | 0.68 | IDO1 (0.43) | — | |
| SCHEMBL4765688 | 0.66 | DHFR (0.36) | — | |
| SCHEMBL6387368 | 0.66 | GAA (0.40) | — | |
| SCHEMBL7020726 | 0.66 | GAA (0.40) | — | |
| SCHEMBL6386479 | 0.66 | GAA (0.40) | — | |
| SCHEMBL3958017 | 0.64 | ALDH1A1 (0.44) | — | |
| SCHEMBL39007 | 0.64 | ALDH1A1 (0.52) | — | |
| SCHEMBL300209 | 0.63 | IDO1 (0.33) | — | |
| SCHEMBL9374652 | 0.63 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3105209-B1 | BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS | Bayer Pharma AG (DE) | 2019-08-21 | — | — | EP | disclosed |