⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31119923 | 0.70 | — | — | |
| SCHEMBL10293371 | 0.70 | OPRM1 (0.32) | — | |
| SCHEMBL661200 | 0.65 | MEN1 (0.39) | — | |
| SCHEMBL31142510 | 0.65 | MEN1 (0.39) | — | |
| SCHEMBL562630 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL13996842 | 0.60 | ESR2 (0.47) | — | |
| SCHEMBL20019497 | 0.58 | ESR1 (0.33) | — | |
| SCHEMBL4945108 | 0.57 | IDO1 (0.35) | — | |
| SCHEMBL16352796 | 0.55 | ESR1 (0.56) | — | |
| SCHEMBL31682684 | 0.55 | ESR1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030211454-A1 | Detection reagent | GE HEALTHCARE UK LIMITED (GB) | 2003-11-13 | — | — | US | disclosed |