⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4249285 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL29196267 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL8862242 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL9170032 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL10486904 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL23647946 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL3639922 | 0.91 | — | — | |
| SCHEMBL1503315 | 0.78 | — | — | |
| SCHEMBL169284 | 0.75 | — | — | |
| SCHEMBL791301 | 0.75 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11964931-B2 | Method of preparing diisocyanate composition and optical lens | SK PUCORE CO., LTD. (KR) | 2024-04-23 | — | — | US | disclosed |
| US-20210171443-A1 | METHOD OF PREPARING DIISOCYANATE COMPOSITION AND OPTICAL LENS | WOORI FINE CHEM CO., LTD. (KR) | 2021-06-10 | — | — | US | disclosed |
| CN-107118586-A | The purposes of the vinyl compound of nitrogen heterocycle substitution | 中国科学技术大学 | 2017-09-01 | — | — | CN | disclosed |
| US-9163051-B2 | Crystal of spiroketal derivatives and process for preparation of spiroketal derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2015-10-20 | — | — | US | disclosed |
| US-20140024817-A1 | CRYSTAL OF SPIROKETAL DERIVATIVES AND PROCESS FOR PREPARATION OF SPIROKETAL DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2014-01-23 | — | — | US | disclosed |
| CN-103502275-A | Small molecule hydrophobic labelling of fusion proteins and resulting degradation thereof | UNIV YALE | 2014-01-08 | — | — | CN | disclosed |
| EP-0038052-B1 | METHOD FOR THE PREPARATION OF CIS-ALKENYL BROMIDE AND ACETATE | Shin-Etsu Chemical Co., Ltd. (JP) | 1984-03-07 | — | — | EP | disclosed |
| EP-0038052-A1 | Method for the preparation of cis-alkenyl bromide and acetate | Shin-Etsu Chemical Co., Ltd. (JP) | 1981-10-21 | — | — | EP | disclosed |