⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1521232 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL6862335 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL811984 | 0.76 | — | — | |
| SCHEMBL1923464 | 0.75 | TP53 (0.42) | — | |
| SCHEMBL1923463 | 0.75 | TP53 (0.42) | — | |
| SCHEMBL37014 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL6667547 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL8140495 | 0.69 | GABRR1 (0.32) | — | |
| SCHEMBL17902998 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL16977317 | 0.67 | SLC7A5 (0.40) | — |
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-7297461-B2 | Radiation sensitive resin composition | JSR CORPORATION (JP) | 2007-11-20 | — | — | US | disclosed |
| US-20050171226-A1 | Radiation sensitive resin composition | JSR CORPORATION (JP) | 2005-08-04 | — | — | US | disclosed |