⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29316768 | 0.78 | CHRNB2 (0.34) | — | |
| SCHEMBL12044972 | 0.78 | CCR5 (0.32) | — | |
| SCHEMBL17282066 | 0.76 | EPHX1 (0.30) | — | |
| SCHEMBL12560573 | 0.76 | EPHX1 (0.30) | — | |
| SCHEMBL14688917 | 0.75 | EPHX1 (0.35) | — | |
| SCHEMBL1104703 | 0.72 | — | — | |
| SCHEMBL539232 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL20912653 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7011143 | 0.70 | — | — | |
| SCHEMBL23746974 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |