⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9804280 | 0.91 | — | — | |
| SCHEMBL5590449 | 0.77 | KCNA4 (0.33) | — | |
| SCHEMBL10456517 | 0.74 | — | — | |
| SCHEMBL22612937 | 0.73 | EPHX1 (0.35) | — | |
| SCHEMBL9619295 | 0.72 | — | — | |
| SCHEMBL6581060 | 0.72 | FFAR3 (0.35) | — | |
| SCHEMBL3670104 | 0.72 | — | — | |
| SCHEMBL21158806 | 0.71 | — | — | |
| SCHEMBL12960156 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4398568 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0247472-B1 | PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID DERIVATIVES | BAYER AG (DE) | 1992-02-12 | — | — | EP | disclosed |
| EP-0247472-A2 | Process for the preparation of carboxylic acid derivatives | BAYER AG (DE) | 1987-12-02 | — | — | EP | disclosed |