⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8228350 | 1.00 | — | — | |
| SCHEMBL16716363 | 0.76 | — | — | |
| SCHEMBL8228974 | 0.76 | — | — | |
| SCHEMBL2814250 | 0.76 | — | — | |
| SCHEMBL8219440 | 0.76 | — | — | |
| SCHEMBL25228217 | 0.74 | — | — | |
| SCHEMBL11936667 | 0.71 | — | — | |
| SCHEMBL31706708 | 0.69 | — | — | |
| SCHEMBL17057142 | 0.69 | — | — | |
| SCHEMBL17098220 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023180189-A1 | MPRO TARGETING ANTIVIRAL COMPOUNDS | EXSCIENTIA AI LIMITED (GB) | 2023-09-28 | — | — | WO | disclosed |