⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6449280 | 0.89 | TSHR (0.33) | — | |
| SCHEMBL1976924 | 0.89 | TSHR (0.33) | — | |
| SCHEMBL3658482 | 0.89 | TSHR (0.33) | — | |
| SCHEMBL6448290 | 0.89 | TSHR (0.33) | — | |
| SCHEMBL6943728 | 0.89 | TSHR (0.33) | — | |
| SCHEMBL15643453 | 0.89 | — | — | |
| SCHEMBL105342 | 0.89 | — | — | |
| SCHEMBL6449559 | 0.89 | TSHR (0.33) | — | |
| SCHEMBL6449456 | 0.89 | TSHR (0.33) | — | |
| SCHEMBL8916717 | 0.89 | TSHR (0.33) | — |
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-2241546-B1 | PROCESS FOR PRODUCTION OF BENZALDEHYDE COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2017-10-04 | — | — | EP | disclosed |
| US-8258349-B2 | Process for production of benzaldehyde compound | SUITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-09-04 | — | — | US | disclosed |
| US-20100292513-A1 | PROCESS FOR PRODUCTION OF BENZALDEHYDE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-11-18 | — | — | US | disclosed |
| EP-2241546-A1 | PROCESS FOR PRODUCTION OF BENZALDEHYDE COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2010-10-20 | — | — | EP | disclosed |