⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4787909 | 0.82 | GRM2 (0.31) | — | |
| SCHEMBL27782639 | 0.72 | MAPT (0.31) | — | |
| SCHEMBL8337054 | 0.69 | — | — | |
| SCHEMBL17822676 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL2996545 | 0.68 | — | — | |
| SCHEMBL11209665 | 0.67 | — | — | |
| SCHEMBL11401759 | 0.66 | — | — | |
| SCHEMBL374810 | 0.66 | — | — | |
| SCHEMBL5265880 | 0.66 | RNPEP (0.32) | — | |
| Potassium Ion SCHEMBL11125804 | 0.66 | CA1 (0.31) | — |
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-0816309-A1 | Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds | ELI LILLY AND COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |