⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL893369 | 0.80 | ALDH1A1 (0.59) | — | |
| SCHEMBL27723590 | 0.78 | MAPT (0.38) | — | |
| SCHEMBL9037219 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL15834889 | 0.77 | ADORA2A (0.36) | — | |
| SCHEMBL17395232 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL1681917 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL17255841 | 0.76 | MAPT (0.36) | — | |
| SCHEMBL15834887 | 0.76 | HPGD (0.37) | — | |
| SCHEMBL27723824 | 0.76 | MAPT (0.40) | — | |
| SCHEMBL2276316 | 0.76 | ADRA2A (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7314701-B2 | Radiation-sensitive resin composition | JSR CORPORATION (JP) | 2008-01-01 | — | — | US | claimed |
| US-7314701-B2 | Radiation-sensitive resin composition | JSR CORPORATION (JP) | 2008-01-01 | — | — | US | disclosed |
| US-20050095527-A1 | Radiation-sensitive resin composition | JSR CORPORATION (JP) | 2005-05-05 | — | — | US | disclosed |