⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10390845 | 0.76 | DDB1 (0.36) | — | |
| SCHEMBL9327731 | 0.75 | — | — | |
| SCHEMBL5833858 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL5833746 | 0.73 | CHRNA7 (0.52) | — | |
| SCHEMBL9070412 | 0.71 | — | — | |
| SCHEMBL15953738 | 0.64 | — | — | |
| SCHEMBL5833618 | 0.54 | MEN1 (0.32) | — | |
| SCHEMBL6907429 | 0.54 | — | — | |
| SCHEMBL5833192 | 0.53 | ALDH1A1 (0.40) | — | |
| SCHEMBL9331577 | 0.49 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0431361-B1 | Use of stabilizers for agrochemical compositions | BAYER AGROCHEM KK (JP) | 1994-02-23 | — | — | EP | claimed |