⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28907305 | 1.00 | — | — | |
| SCHEMBL6219656 | 0.93 | EPHX1 (0.39) | — | |
| SCHEMBL89990 | 0.93 | EPHX1 (0.39) | — | |
| SCHEMBL90261 | 0.93 | EPHX1 (0.39) | — | |
| SCHEMBL25376958 | 0.90 | — | — | |
| SCHEMBL512291 | 0.90 | — | — | |
| SCHEMBL3997892 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL638383 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL1559697 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL1633435 | 0.88 | — | — |
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-112341440-B | Immunomodulator | 成都先导药物开发股份有限公司 | 2022-05-31 | — | — | CN | disclosed |
| CN-112341440-A | Immunomodulator | 成都先导药物开发股份有限公司 | 2021-02-09 | — | — | CN | disclosed |