⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6599150 | 0.84 | TDP1 (0.31) | — | |
| SCHEMBL1418905 | 0.76 | GRM5 (0.40) | — | |
| SCHEMBL6526827 | 0.73 | KMT2A (0.35) | — | |
| SCHEMBL9557677 | 0.72 | NPC1 (0.41) | — | |
| SCHEMBL694905 | 0.71 | HTT (0.62) | — | |
| SCHEMBL145442 | 0.70 | TDP1 (0.54) | — | |
| SCHEMBL693867 | 0.68 | TDP1 (0.36) | — | |
| SCHEMBL695764 | 0.68 | HCAR1 (0.44) | — | |
| SCHEMBL7805166 | 0.67 | CYP11B1 (0.66) | — | |
| SCHEMBL668813 | 0.67 | CYP11B1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112789045-A | Compositions and methods for treating autism | 亚莫制药有限公司 | 2021-05-11 | — | — | CN | disclosed |
| EP-1385833-A1 | TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS | Amgen Inc. (US) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002083654-A1 | TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS | AMGEN INC. (US) | 2002-10-24 | — | — | WO | disclosed |