⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8395360 | 1.00 | — | — | |
| SCHEMBL11353095 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL11353097 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL11065154 | 0.76 | — | — | |
| SCHEMBL11065151 | 0.76 | — | — | |
| SCHEMBL11289329 | 0.76 | — | — | |
| SCHEMBL16969962 | 0.76 | — | — | |
| SCHEMBL11289310 | 0.76 | — | — | |
| SCHEMBL11281635 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL11281631 | 0.74 | TSHR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5866731-A | CATALYST WHICH IS AN ORGANIC COMPOUND HAVING AT LEAST TWO POLAR GROUPS IN THE MOLECULE EACH CONTAINING A HETEROATOM HAVING AN UNSHARED ELECTRON PAIR, AND HAVING NO ALIPHATIC CARBON-CARBON UNSATURATED BOND. | NIPPON ZEON CO., LTD. (JP) | 1999-02-02 | — | — | US | disclosed |
| EP-0795530-A1 | PROCESS FOR PRODUCING HALOGENATED ORGANIC COMPOUNDS | NIPPON ZEON CO., LTD. (JP) | 1997-09-17 | — | — | EP | disclosed |