⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5583489 | 0.81 | — | — | |
| SCHEMBL3969262 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL3963502 | 0.78 | — | — | |
| Piperazine SCHEMBL7414302 | 0.73 | — | — | |
| Pyrrole SCHEMBL18797670 | 0.71 | — | — | |
| SCHEMBL8428656 | 0.71 | KMT2A (0.36) | — | |
| SCHEMBL460674 | 0.68 | — | — | |
| SCHEMBL16238310 | 0.66 | — | — | |
| SCHEMBL3542282 | 0.66 | — | — | |
| SCHEMBL28669823 | 0.64 | EPHX1 (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-118105369-A | Eight compounds capable of improving ACE2 activity | 北京市糖尿病研究所(北京市糖尿病防治办公室) | 2024-05-31 | — | — | CN | disclosed |
| CN-118021831-A | Application of Protodioscin as ACE2 Agonist | 北京市糖尿病研究所(北京市糖尿病防治办公室) | 2024-05-14 | — | — | CN | disclosed |