⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30182694 | 0.92 | — | — | |
| SCHEMBL24892136 | 0.80 | ACR (0.39) | — | |
| SCHEMBL24891968 | 0.78 | HDAC3 (0.64) | — | |
| SCHEMBL24891988 | 0.75 | MAPKAPK2 (0.57) | — | |
| Trifluoroacetic Acid SCHEMBL30182236 | 0.74 | KDM4E (0.39) | — | |
| SCHEMBL24892357 | 0.72 | SMYD3 (0.42) | — | |
| SCHEMBL23648057 | 0.70 | CHEK1 (0.56) | — | |
| Trifluoroacetic Acid SCHEMBL30182754 | 0.69 | MAPKAPK2 (0.51) | — | |
| SCHEMBL17542251 | 0.69 | — | — | |
| SCHEMBL30180974 | 0.69 | MAPT (0.47) | — |
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-2023287736-A1 | NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2023-01-19 | — | — | WO | disclosed |