⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2129990 | 1.00 | — | — | |
| SCHEMBL2130428 | 0.96 | MC4R (0.31) | — | |
| SCHEMBL2130436 | 0.96 | MC4R (0.31) | — | |
| SCHEMBL10104794 | 0.91 | S1PR1 (0.33) | — | |
| SCHEMBL2129463 | 0.90 | AAK1 (0.33) | — | |
| SCHEMBL2129459 | 0.90 | AAK1 (0.33) | — | |
| SCHEMBL15284386 | 0.89 | S1PR1 (0.32) | — | |
| SCHEMBL15284389 | 0.89 | S1PR1 (0.32) | — | |
| SCHEMBL2131300 | 0.89 | PTGDR2 (0.32) | — | |
| SCHEMBL2131294 | 0.89 | PTGDR2 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8569270-B2 | Diphenyl sulfide derivatives and medicines containing same as active ingredient | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2013-10-29 | — | — | US | disclosed |
| EP-2452944-A1 | DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT | Kyorin Pharmaceutical Co., Ltd. (JP) | 2012-05-16 | — | — | EP | disclosed |
| US-20120101068-A1 | DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2012-04-26 | — | — | US | disclosed |