⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22002180 | 1.00 | — | — | |
| SCHEMBL5515545 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL765929 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL14316575 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL25722618 | 0.76 | CETP (0.36) | — | |
| SCHEMBL26399662 | 0.74 | — | — | |
| SCHEMBL24703744 | 0.74 | — | — | |
| SCHEMBL23462979 | 0.72 | — | — | |
| SCHEMBL9150330 | 0.72 | — | — | |
| SCHEMBL24765234 | 0.71 | — | — |
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-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |