⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3987312 | 0.67 | — | — | |
| SCHEMBL1515107 | 0.63 | — | — | |
| SCHEMBL1515333 | 0.63 | — | — | |
| SCHEMBL5614245 | 0.62 | ALDH1A1 (0.44) | — | |
| SCHEMBL6973305 | 0.60 | — | — | |
| SCHEMBL1515397 | 0.59 | BAZ2B (0.38) | — | |
| SCHEMBL29150952 | 0.58 | — | — | |
| SCHEMBL15321216 | 0.58 | — | — | |
| SCHEMBL23664366 | 0.57 | DHODH (0.43) | — | |
| SCHEMBL1515140 | 0.56 | — | — |
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 |