⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1612169 | 0.88 | PDE5A (0.33) | — | |
| SCHEMBL1611072 | 0.86 | TSHR (0.31) | — | |
| SCHEMBL1609967 | 0.84 | TSHR (0.34) | — | |
| SCHEMBL1610058 | 0.84 | TSHR (0.34) | — | |
| SCHEMBL1611471 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL1611497 | 0.81 | TRPA1 (0.37) | — | |
| SCHEMBL1611468 | 0.78 | — | — | |
| SCHEMBL1610279 | 0.76 | — | — | |
| SCHEMBL1610115 | 0.72 | ALOX5 (0.42) | — | |
| SCHEMBL1609490 | 0.72 | AMY1A (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110087034-A1 | Organic Semiconductor Material | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2011-04-14 | — | — | US | disclosed |
| EP-2248818-A1 | ORGANIC SEMICONDUCTOR MATERIAL | Sumitomo Chemical Company, Limited (JP) | 2010-11-10 | — | — | EP | disclosed |
| US-6005116-A | HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA | SANKYO COMPANY, LIMITED (JP) | 1999-12-21 | — | — | US | disclosed |
| EP-0885891-A1 | ISOXAZOLE DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1998-12-23 | — | — | EP | disclosed |