⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5881346 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL16754900 | 0.70 | — | — | |
| SCHEMBL25316068 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL7171041 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL78126 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL9798528 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL316224 | 0.69 | TGFBR1 (0.41) | — | |
| SCHEMBL5681532 | 0.69 | TGFBR1 (0.38) | — | |
| SCHEMBL26832 | 0.67 | — | — | |
| SCHEMBL15326 | 0.67 | — | — |
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-115286843-B | Yb 3+ /Sm 3+ -Ti 3 C 2 T x Preparation method of/PPy @ multi-walled carbon nanotube composite material | 彗晶新材料科技(杭州)有限公司 | 2023-03-28 | — | — | CN | disclosed |