⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9576485 | 0.74 | DAGLA (0.35) | — | |
| SCHEMBL9576484 | 0.74 | DAGLA (0.35) | — | |
| SCHEMBL11835660 | 0.70 | BLM (0.46) | — | |
| SCHEMBL11835658 | 0.70 | BLM (0.46) | — | |
| SCHEMBL15609240 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL15609241 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL11844978 | 0.65 | ALOX15 (0.45) | — | |
| SCHEMBL11844971 | 0.65 | ALOX15 (0.45) | — | |
| SCHEMBL9718250 | 0.65 | DAGLA (0.36) | — | |
| SCHEMBL9718248 | 0.65 | DAGLA (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5214067-A | Mixture of pyranyl glycine ester and beta-lactone | MERCK & CO., INC. (US) | 1993-05-25 | — | — | US | disclosed |
| EP-0479356-A1 | Fungicidal compositions and method | MERCK & CO. INC. (US) | 1992-04-08 | — | — | EP | disclosed |
| US-4988697-A | Alpha-demethylase inhibiting azole compound and a beta-lactone | MERCK & CO., INC. (US) | 1991-01-29 | — | — | US | disclosed |