⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL3384849 | 1.00 | — | — | |
| Acetamide SCHEMBL27593788 | 0.87 | — | — | |
| Carbamic Acid SCHEMBL28252969 | 0.87 | — | — | |
| Urea SCHEMBL245716 | 0.84 | — | — | |
| Urea SCHEMBL332371 | 0.84 | — | — | |
| Urea SCHEMBL322840 | 0.82 | — | — | |
| Urea SCHEMBL28694481 | 0.81 | — | — | |
| Urea SCHEMBL36081 | 0.78 | — | — | |
| Urea SCHEMBL9807739 | 0.78 | ALDH1A1 (0.53) | — | |
| Urea SCHEMBL6896912 | 0.78 | ALDH1A1 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2212332-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009033581-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-03-19 | — | — | WO | disclosed |