⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3160951 | 0.96 | — | — | |
| SCHEMBL3157838 | 0.96 | SCN9A (0.31) | — | |
| SCHEMBL6060176 | 0.95 | — | — | |
| SCHEMBL3168481 | 0.93 | ESR1 (0.32) | — | |
| SCHEMBL3167382 | 0.87 | S1PR1 (0.33) | — | |
| SCHEMBL6059370 | 0.86 | DAO (0.31) | — | |
| SCHEMBL3153659 | 0.86 | GRM2 (0.39) | — | |
| SCHEMBL3168744 | 0.86 | — | — | |
| SCHEMBL6059952 | 0.86 | S1PR1 (0.31) | — | |
| SCHEMBL3165192 | 0.85 | ESR1 (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 9 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-7145047-B2 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2006-12-05 | — | — | US | disclosed |
| EP-0952135-B1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK & CHEMICALS (JP) | 2005-01-05 | — | — | EP | disclosed |
| EP-1452514-A1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2004-09-01 | — | — | EP | disclosed |
| US-20030136944-A1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-07-24 | — | — | US | disclosed |
| EP-1273562-A1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-01-08 | — | — | EP | disclosed |
| US-6468607-B1 | MISCIBILITY, LARGE BIREFRINGENCE INDEX, NO STRONGLY POLAR GROUP IN ITS MOLECULE AND THUS CAN ALSO BE USED FOR ACTIVE MATRIX DRIVING, WIDE TEMPERATURE RANGE AND REQUIRES A HIGH SPEED RESPONSE AND A LOW VOLTAGE DRIVING | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-10-22 | — | — | US | disclosed |
| EP-0952135-A1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1999-10-27 | — | — | EP | disclosed |