⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28967068 | 0.78 | — | — | |
| SCHEMBL28967069 | 0.75 | — | — | |
| SCHEMBL8215728 | 0.73 | CYP1A2 (0.41) | — | |
| SCHEMBL9115571 | 0.73 | — | — | |
| SCHEMBL16166643 | 0.73 | — | — | |
| SCHEMBL10344091 | 0.73 | — | — | |
| SCHEMBL28943905 | 0.71 | — | — | |
| SCHEMBL28372436 | 0.71 | — | — | |
| SCHEMBL11274107 | 0.71 | — | — | |
| SCHEMBL15236107 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113727734-A | Ligand-drug conjugates comprising a linker having a tris structure | 乐高化学生物科学股份有限公司 | 2021-11-30 | — | — | CN | disclosed |
| WO-2015067210-A1 | MERCAPTOTRIAZOLE DRAG REDUCER FOR TRANSMISSION PIPELINE AND PREPARATION METHOD THEREFOR | 中国石油天然气股份有限公司 | 2015-05-14 | — | — | WO | disclosed |