⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2975002 | 0.83 | — | — | |
| SCHEMBL49388 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL49390 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL5466036 | 0.75 | — | — | |
| SCHEMBL9635998 | 0.74 | — | — | |
| SCHEMBL462908 | 0.73 | TSHR (0.34) | — | |
| SCHEMBL462909 | 0.73 | TSHR (0.34) | — | |
| SCHEMBL11102191 | 0.73 | — | — | |
| SCHEMBL11497149 | 0.72 | — | — | |
| SCHEMBL10456152 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7001948-B2 | Polyurea coating compositions | AMERICAN POLYMER CORPORATION (US) | 2006-02-21 | — | — | US | disclosed |
| US-20030105220-A1 | Polyurea coating compositions | AMERICAN POLYMER CORPORATION | 2003-06-05 | — | — | US | disclosed |