⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28761664 | 0.88 | KDM4E (0.36) | — | |
| SCHEMBL28000516 | 0.81 | CYP2D6 (0.32) | — | |
| SCHEMBL8787815 | 0.81 | — | — | |
| SCHEMBL27738003 | 0.78 | — | — | |
| SCHEMBL27594445 | 0.77 | — | — | |
| SCHEMBL27879014 | 0.76 | — | — | |
| SCHEMBL27613128 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL27978911 | 0.76 | — | — | |
| SCHEMBL9193457 | 0.74 | CYP2C19 (0.40) | — | |
| SCHEMBL27979127 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101309690-A | Chemokine receptor binding compounds | ANORMED INC (CA) | 2008-11-19 | — | — | CN | disclosed |
| EP-0763020-A1 | SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES | ZENECA LIMITED (GB) | 1997-03-19 | — | — | EP | disclosed |