⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL465184 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL29250422 | 0.88 | — | — | |
| SCHEMBL3169370 | 0.88 | — | — | |
| SCHEMBL423877 | 0.82 | — | — | |
| SCHEMBL4170607 | 0.80 | — | — | |
| SCHEMBL30397423 | 0.80 | — | — | |
| SCHEMBL27934512 | 0.80 | — | — | |
| SCHEMBL4170608 | 0.80 | — | — | |
| SCHEMBL1360642 | 0.80 | — | — | |
| SCHEMBL11326724 | 0.80 | KDM1A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1036009-A | Synthetic and the application of β-chloro enol chrysanthemum monocarboxylate | UNIV NANKAI (CN) | 1989-10-04 | — | — | CN | disclosed |