⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28095556 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL5086050 | 1.00 | — | — | |
| SCHEMBL13477796 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL15787112 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL7569207 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL14123990 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL10278493 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL22672719 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL20628593 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL27765228 | 1.00 | TSHR (0.44) | — |
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-1038866-B1 | Process for producing aziridine compound | DAICEL CHEM (JP) | 2003-11-12 | — | — | EP | disclosed |
| US-6323346-B1 | REACTING A DIAZOACETIC ACID DERIVATIVE OF THE FORMULA N.SUB.2 CHR.SUP.4 WITH A CARBONYL COMPOUND OF FORMULA R.SUP.1 R.SUP.2 C.DBD.O AND AN AMINO-GROUP-CONTAINING COMPOUND OF FORMULA R.SUP.3 NH.SUB.2 IN THE PRESENCE OF AN IRIDIUM COMPLEX | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-11-27 | — | — | US | disclosed |
| EP-1038866-A1 | Process for producing aziridine compound | Daicel Chemical Industries, Ltd. (JP) | 2000-09-27 | — | — | EP | disclosed |