⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19193 | 0.97 | — | — | |
| SCHEMBL21064874 | 0.97 | TSHR (1.00) | — | |
| SCHEMBL4431010 | 0.93 | TSHR (0.93) | — | |
| Water SCHEMBL1289230 | 0.93 | — | — | |
| SCHEMBL28438129 | 0.93 | — | — | |
| Methyl Alcohol SCHEMBL584909 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL5086843 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL2107550 | 0.93 | — | — | |
| SCHEMBL3495565 | 0.93 | — | — | |
| SCHEMBL28357409 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2450335-B1 | METHOD FOR SYNTHESIZING COMPOUND AND CATALYST FOR SYNTHESIS REACTION | HOKKO CHEM IND CO (JP) | 2015-03-25 | — | — | EP | disclosed |
| EP-2450335-A1 | METHOD FOR SYNTHESIZING COMPOUND AND CATALYST FOR SYNTHESIS REACTION | Hokko Chemical Industry Co., Ltd. (JP) | 2012-05-09 | — | — | EP | disclosed |
| US-20120088936-A1 | METHOD FOR SYNTHESIZING COMPOUND AND CATALYST FOR SYNTHESIS REACTION | DAIHATSU MOTOR CO., LTD. (JP) | 2012-04-12 | — | — | US | disclosed |