⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7623372 | 0.70 | KDM4E (0.34) | — | |
| SCHEMBL29330288 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL13487954 | 0.64 | DAO (0.33) | — | |
| SCHEMBL9846307 | 0.61 | GRIN2D (0.42) | — | |
| Hydrochloric Acid SCHEMBL5444548 | 0.61 | MAPK14 (0.32) | — | |
| SCHEMBL16418933 | 0.61 | NOTUM (0.70) | — | |
| SCHEMBL25814539 | 0.61 | HSPA5 (0.35) | — | |
| SCHEMBL12402395 | 0.61 | ALDH1A1 (0.37) | — | |
| SCHEMBL7969520 | 0.60 | PON1 (0.47) | — | |
| SCHEMBL4011812 | 0.59 | DAO (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107849044-B | Triaza-spirodecanones as DDR1 inhibitors | 豪夫迈·罗氏有限公司 | 2021-06-25 | — | — | CN | disclosed |