⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28279929 | 0.92 | ESR1 (0.90) | — | |
| Wr-1065 SCHEMBL38865 | 0.92 | — | — | |
| Wr-1065 SCHEMBL21750087 | 0.89 | ESR1 (0.94) | — | |
| Wr-1065 SCHEMBL4640384 | 0.89 | ESR1 (0.94) | — | |
| SCHEMBL17119217 | 0.86 | ESR1 (0.79) | — | |
| SCHEMBL7757906 | 0.85 | — | — | |
| SCHEMBL322518 | 0.85 | CA12 (0.93) | — | |
| SCHEMBL448382 | 0.85 | CA12 (0.93) | — | |
| SCHEMBL323273 | 0.85 | CA12 (0.93) | — | |
| SCHEMBL732232 | 0.85 | CA12 (0.93) | — |
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-2023089183-A1 | A COMPOSITION COMPRISING A THERAPEUTICALLY ACTIVE AGENT PACKAGED WITHIN A DRUG DELIVERY VEHICLE | BRANCA BUNUS LIMITED (IE) | 2023-05-25 | — | — | WO | disclosed |