⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17787029 | 0.78 | ELANE (0.33) | — | |
| SCHEMBL30027475 | 0.77 | ELANE (0.36) | — | |
| SCHEMBL9294567 | 0.76 | ELANE (0.32) | — | |
| SCHEMBL7761698 | 0.76 | L3MBTL1 (0.36) | — | |
| SCHEMBL9707265 | 0.76 | ELANE (0.32) | — | |
| SCHEMBL28049369 | 0.74 | — | — | |
| SCHEMBL507991 | 0.72 | — | — | |
| SCHEMBL28001050 | 0.72 | ELANE (0.33) | — | |
| SCHEMBL28006335 | 0.72 | ELANE (0.34) | — | |
| SCHEMBL1949138 | 0.70 | DGAT1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115475249-A | Photoresponse carbon monoxide release nanogel and preparation method and application thereof | 西北工业大学 | 2022-12-16 | — | — | CN | disclosed |
| CN-104877001-A | Antifungal Agents | SCYNEXIS INC | 2015-09-02 | — | — | CN | disclosed |
| CN-102176827-B | Antifungal formulations | SCYNEXIS INC | 2015-05-20 | — | — | CN | disclosed |
| EP-0371438-A2 | 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents | WARNER-LAMBERT COMPANY (US) | 1990-06-06 | — | — | EP | disclosed |