⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11377367 | 0.61 | GSTP1 (0.30) | — | |
| Water SCHEMBL28576075 | 0.59 | — | — | |
| SCHEMBL25399030 | 0.55 | — | — | |
| SCHEMBL28695419 | 0.53 | — | — | |
| SCHEMBL28603125 | 0.53 | — | — | |
| SCHEMBL7440315 | 0.52 | EPHX1 (0.39) | — | |
| SCHEMBL27475440 | 0.52 | EPHX1 (0.39) | — | |
| Water SCHEMBL28582929 | 0.52 | — | — | |
| SCHEMBL29953593 | 0.52 | ADH1B (0.37) | — | |
| SCHEMBL3762817 | 0.51 | EPHX1 (0.43) | — |
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 2 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 |
| WO-2010028088-A2 | SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2010-03-11 | — | — | WO | disclosed |