⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8985154 | 0.76 | — | — | |
| SCHEMBL8985035 | 0.71 | — | — | |
| SCHEMBL9325178 | 0.71 | — | — | |
| SCHEMBL8985022 | 0.71 | — | — | |
| SCHEMBL9325196 | 0.70 | CYP3A4 (0.33) | — | |
| SCHEMBL9326906 | 0.70 | — | — | |
| SCHEMBL9547163 | 0.68 | — | — | |
| SCHEMBL9837939 | 0.67 | ATM (0.37) | — | |
| SCHEMBL9325362 | 0.66 | BLM (0.37) | — | |
| SCHEMBL9326312 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0525033-A4 | 4-(OXYGEN, SULFUR OR NITROGEN SUBSTITUTED)-METHYL 5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS | — | 1993-03-10 | — | — | EP | disclosed |
| EP-0525033-A1 | 4-(OXYGEN, SULFUR OR NITROGEN SUBSTITUTED)-METHYL 5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS | ALLERGAN, INC. (US) | 1993-02-03 | — | — | EP | disclosed |
| WO-1991016047-A1 | 4-(OXYGEN, SULFUR OR NITROGEN SUBSTITUTED)-METHYL 5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS | ALLERGAN, INC. (US) | 1991-10-31 | — | — | WO | disclosed |
| US-5037811-A | Antiboby inhibitors; antigrowth agents/biological/; antiarthritic agents | ALLERGAN, INC. (US) | 1991-08-06 | — | — | US | disclosed |