⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5391004 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28019265 | 0.78 | MEN1 (0.34) | — | |
| SCHEMBL27482325 | 0.78 | TGFBR1 (0.33) | — | |
| SCHEMBL8155896 | 0.74 | — | — | |
| SCHEMBL9913289 | 0.74 | KDM4E (0.39) | — | |
| SCHEMBL8772020 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL7129495 | 0.73 | — | — | |
| SCHEMBL5596651 | 0.71 | THRB (0.38) | — | |
| SCHEMBL14366070 | 0.70 | KDM4E (0.40) | — | |
| SCHEMBL24369512 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003231670-A | METHOD FOR PRODUCING AMINO ACID AMIDE | MITSUBISHI RAYON CO LTD | 2003-08-19 | — | — | JP | disclosed |