⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24288 | 0.91 | OPRM1 (0.32) | — | |
| SCHEMBL31410770 | 0.91 | OPRM1 (0.32) | — | |
| SCHEMBL22182531 | 0.87 | OPRM1 (0.33) | — | |
| SCHEMBL16640954 | 0.83 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL25658677 | 0.82 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL21795511 | 0.82 | — | — | |
| SCHEMBL16640958 | 0.81 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL23142718 | 0.81 | — | — | |
| SCHEMBL19543777 | 0.80 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL15984358 | 0.80 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021106979-A1 | LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT | 日産化学株式会社 | 2021-06-03 | — | — | WO | disclosed |