⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20813525 | 0.93 | — | — | |
| SCHEMBL20813592 | 0.91 | CYP11B1 (0.30) | — | |
| SCHEMBL20813335 | 0.90 | — | — | |
| SCHEMBL20813546 | 0.89 | — | — | |
| SCHEMBL20813862 | 0.89 | — | — | |
| SCHEMBL20813343 | 0.88 | — | — | |
| SCHEMBL20802437 | 0.86 | — | — | |
| SCHEMBL20813823 | 0.86 | — | — | |
| SCHEMBL20813718 | 0.86 | — | — | |
| SCHEMBL20813651 | 0.86 | CYP11B1 (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-10676669-B2 | Compound having naphthalene ring, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2020-06-09 | — | — | US | disclosed |
| US-20190078019-A1 | COMPOUND HAVING NAPHTHALENE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2019-03-14 | — | — | US | disclosed |
| EP-3453697-A1 | COMPOUND HAVING NAPHTHALENE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2019-03-13 | — | — | EP | disclosed |