⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9544119 | 0.81 | — | — | |
| SCHEMBL2389562 | 0.76 | SCN1A (0.32) | — | |
| SCHEMBL18920943 | 0.74 | PPM1B (0.36) | — | |
| SCHEMBL464840 | 0.73 | CYP2C19 (0.36) | — | |
| Water SCHEMBL28081683 | 0.72 | CYP2C19 (0.36) | — | |
| SCHEMBL7600518 | 0.72 | EP300 (0.31) | — | |
| SCHEMBL13740855 | 0.71 | CYP2C19 (0.30) | — | |
| SCHEMBL27725870 | 0.71 | — | — | |
| SCHEMBL9647527 | 0.71 | — | — | |
| SCHEMBL9647530 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016133776-A1 | GLYCIDYL ETHER BASED OPTICAL COATING COMPOSITIONS | THE WALMAN OPTICAL COMPANY (US) | 2016-08-25 | — | — | WO | disclosed |
| CN-101616642-A | Fusion device | ANGSTROM MEDICA INC | 2009-12-30 | — | — | CN | disclosed |
| US-6245827-B1 | LIQUID POLYEPOXIDES | ELEMENTIS SPECIALTIES, INC. | 2001-06-12 | — | — | US | disclosed |