⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1961155 | 0.80 | HSP90AA1 (0.38) | — | |
| SCHEMBL15386156 | 0.75 | POLB (0.37) | — | |
| SCHEMBL14644349 | 0.71 | AKT1 (0.32) | — | |
| SCHEMBL16451682 | 0.67 | HSP90AA1 (0.32) | — | |
| Carbamic Acid SCHEMBL2545523 | 0.67 | HSP90AA1 (0.38) | — | |
| SCHEMBL12512 | 0.67 | — | — | |
| SCHEMBL467436 | 0.67 | — | — | |
| SCHEMBL147228 | 0.66 | — | — | |
| SCHEMBL1554564 | 0.66 | HSP90AA1 (0.36) | — | |
| SCHEMBL29055703 | 0.64 | JAK2 (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 |
|---|---|---|---|---|---|---|---|
| US-20230022289-A1 | ORGANIC COMPOUND, P-TYPE DOPED MATERIAL AND APPLICATION THEREOF | SHANGHAI TIANMA MICROELECTRONICS CO., LTD. (CN) | 2023-01-26 | — | — | US | disclosed |