⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4939678 | 0.78 | EPHX1 (0.39) | — | |
| SCHEMBL3422719 | 0.76 | — | — | |
| SCHEMBL3905995 | 0.74 | — | — | |
| SCHEMBL918699 | 0.74 | — | — | |
| SCHEMBL20376220 | 0.74 | EPHX1 (0.36) | — | |
| SCHEMBL7050710 | 0.74 | EPHX1 (0.42) | — | |
| SCHEMBL3905991 | 0.74 | — | — | |
| SCHEMBL7841481 | 0.73 | EPHX1 (0.32) | — | |
| SCHEMBL2263006 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL1164326 | 0.73 | APLNR (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 |
|---|---|---|---|---|---|---|---|
| CN-115806532-A | Preparation method of impurities in MIT | 大连百傲化学股份有限公司 | 2023-03-17 | — | — | CN | disclosed |