⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11427082 | 0.87 | CYP3A4 (0.34) | — | |
| SCHEMBL15477962 | 0.79 | CYP3A4 (0.30) | — | |
| SCHEMBL12615325 | 0.72 | HDAC4 (0.31) | — | |
| SCHEMBL28431328 | 0.70 | — | — | |
| SCHEMBL29072520 | 0.70 | — | — | |
| SCHEMBL8775519 | 0.68 | — | — | |
| SCHEMBL28891517 | 0.68 | — | — | |
| SCHEMBL8214991 | 0.66 | — | — | |
| SCHEMBL21797066 | 0.66 | — | — | |
| SCHEMBL5477781 | 0.65 | ALDH1A1 (0.35) | — |
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-4962178-A | 0XYGEN PERMEABLE MEMBRANE | CIBA-GEIGY CORPORATION (US) | 1990-10-09 | — | — | US | claimed |
| CN-111344891-A | Nonaqueous electrolyte solution and energy device using same | 三菱化学株式会社 | 2020-06-26 | — | — | CN | disclosed |
| US-4962178-A | 0XYGEN PERMEABLE MEMBRANE | CIBA-GEIGY CORPORATION (US) | 1990-10-09 | — | — | US | disclosed |