⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6452956 | 1.00 | — | — | |
| SCHEMBL20231835 | 0.93 | — | — | |
| SCHEMBL16512579 | 0.87 | — | — | |
| SCHEMBL6452870 | 0.83 | SHBG (0.31) | — | |
| SCHEMBL4569170 | 0.83 | SHBG (0.31) | — | |
| SCHEMBL5684820 | 0.82 | SHBG (0.44) | — | |
| SCHEMBL422994 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL19339358 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL19884668 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL22270920 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1452514-B1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK & CHEMICALS (JP) | 2010-03-31 | — | — | EP | disclosed |
| EP-1273562-B1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK & CHEMICALS (JP) | 2009-07-22 | — | — | EP | disclosed |
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |
| JP-2000239214-A | DECAHYDRONAPHTHALENE DERIVATIVE AND ITS PRODUCTION | DAINIPPON INK & CHEM INC | 2000-09-05 | — | — | JP | disclosed |