⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3153608 | 0.94 | ALOX5AP (0.33) | — | |
| SCHEMBL3168869 | 0.92 | CTSK (0.32) | — | |
| SCHEMBL6059488 | 0.92 | ALOX5AP (0.34) | — | |
| SCHEMBL3954722 | 0.89 | ALOX5AP (0.32) | — | |
| SCHEMBL3173288 | 0.88 | PTGS2 (0.38) | — | |
| SCHEMBL3166712 | 0.88 | ALOX5AP (0.32) | — | |
| SCHEMBL6059148 | 0.88 | — | — | |
| SCHEMBL3171251 | 0.87 | NCEH1 (0.35) | — | |
| SCHEMBL6059952 | 0.86 | S1PR1 (0.31) | — | |
| SCHEMBL3165574 | 0.86 | CTSK (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |