⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20070416 | 0.83 | KDM4E (0.36) | — | |
| SCHEMBL3439424 | 0.77 | — | — | |
| SCHEMBL29999963 | 0.77 | — | — | |
| SCHEMBL5809339 | 0.77 | — | — | |
| SCHEMBL18327727 | 0.77 | — | — | |
| SCHEMBL6631270 | 0.74 | — | — | |
| SCHEMBL12335685 | 0.73 | NPC1 (0.40) | — | |
| SCHEMBL7216984 | 0.73 | — | — | |
| SCHEMBL7216345 | 0.73 | — | — | |
| SCHEMBL6631659 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6576765-B2 | Process for preparing amic acid esters | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-06-10 | — | — | US | disclosed |
| US-20030032667-A1 | PROCESS FOR PREPARING AMIC ACID ESTERS | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-02-13 | — | — | US | disclosed |
| EP-1182199-A1 | PROCESS FOR PREPARING AMIC ACID ESTERS | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |