⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19666749 | 0.87 | — | — | |
| SCHEMBL631549 | 0.87 | — | — | |
| SCHEMBL12902853 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL12902857 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL28735701 | 0.75 | — | — | |
| SCHEMBL27694932 | 0.75 | — | — | |
| SCHEMBL21810733 | 0.74 | — | — | |
| SCHEMBL28074340 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL12960145 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL12902881 | 0.72 | CYP3A4 (0.31) | — |
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-113130113-B | Conductive material composition and conductive material prepared from same | 财团法人工业技术研究院 | 2022-10-28 | — | — | CN | disclosed |
| CN-113130113-A | Conductive material composition and conductive material prepared from same | 财团法人工业技术研究院 | 2021-07-16 | — | — | CN | disclosed |