⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8496490 | 0.80 | — | — | |
| SCHEMBL631303 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL353800 | 0.78 | — | — | |
| SCHEMBL21385301 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL990466 | 0.77 | CYP2C19 (0.39) | — | |
| SCHEMBL3968163 | 0.75 | CYP2C19 (0.42) | — | |
| SCHEMBL782171 | 0.73 | — | — | |
| SCHEMBL10420986 | 0.73 | — | — | |
| SCHEMBL2632835 | 0.73 | — | — | |
| SCHEMBL21314217 | 0.72 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100056671-A1 | POLYFUNCTIONAL EPOXY OLIGOMERS | DESIGNER MOLECULES, INC. (US) | 2010-03-04 | — | — | US | claimed |
| WO-2008128209-A1 | POLYFUNCTIONAL EPOXY OLIGOMERS | DESIGNER MOLECULES, INC. (US) | 2008-10-23 | — | — | WO | claimed |
| US-20100056671-A1 | POLYFUNCTIONAL EPOXY OLIGOMERS | DESIGNER MOLECULES, INC. (US) | 2010-03-04 | — | — | US | disclosed |
| WO-2008128209-A1 | POLYFUNCTIONAL EPOXY OLIGOMERS | DESIGNER MOLECULES, INC. (US) | 2008-10-23 | — | — | WO | disclosed |