⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3472299 | 1.00 | TSHR (0.47) | — | |
| SCHEMBL3475570 | 1.00 | TSHR (0.47) | — | |
| SCHEMBL3472181 | 1.00 | TSHR (0.47) | — | |
| SCHEMBL3473643 | 1.00 | TSHR (0.47) | — | |
| SCHEMBL3474720 | 1.00 | TSHR (0.47) | — | |
| SCHEMBL3474488 | 1.00 | TSHR (0.47) | — | |
| SCHEMBL3475167 | 1.00 | TSHR (0.47) | — | |
| SCHEMBL3473826 | 1.00 | TSHR (0.47) | — | |
| SCHEMBL3472279 | 1.00 | TSHR (0.47) | — | |
| SCHEMBL3472869 | 1.00 | TSHR (0.47) | — |
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-2241552-B1 | PRODUCTION METHOD AND BECKMANN REARRANGEMENT CATALYST FOR PRODUCING A CYCLIC LACTAM COMPOUND | UNIV NAGOYA NAT UNIV CORP (JP) | 2018-11-14 | — | — | EP | disclosed |
| EP-2241552-A1 | PRODUCTION METHOD AND BECKMANN REARRANGEMENT CATALYST FOR PRODUCING A CYCLIC LACTAM COMPOUND | National University Corporation Nagoya University (JP) | 2010-10-20 | — | — | EP | disclosed |
| US-5527763-A | HIGHLY SAFE TO CROP PLANTS | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0581960-A1 | PYRIMIDINE OR TRIAZINE DERIVATIVE AND HERBICIDE | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-02-09 | — | — | EP | disclosed |