⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1727499 | 0.85 | LTB4R (0.32) | — | |
| SCHEMBL1710669 | 0.82 | CTSK (0.31) | — | |
| SCHEMBL3387017 | 0.79 | MALT1 (0.34) | — | |
| SCHEMBL1710712 | 0.78 | AR (0.34) | — | |
| SCHEMBL1710639 | 0.77 | AR (0.34) | — | |
| SCHEMBL1710557 | 0.77 | AR (0.34) | — | |
| Emixustat SCHEMBL2150580 | 0.76 | AOC3 (0.35) | — | |
| SCHEMBL15946047 | 0.76 | — | — | |
| SCHEMBL16031371 | 0.75 | PDE4D (0.37) | — | |
| SCHEMBL3388594 | 0.75 | APEX1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344451-A2 | SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS | Acucela, Inc. (US) | 2011-07-20 | — | — | EP | disclosed |
| US-20100093865-A1 | SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2010-04-15 | — | — | US | disclosed |
| US-20100093865-A1 | SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2010-04-15 | — | — | US | disclosed |
| WO-2010028088-A2 | SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2010-03-11 | — | — | WO | disclosed |