⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15031607 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL3873895 | 0.70 | — | — | |
| SCHEMBL26112006 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL2236848 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL16045212 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL11412944 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL6722213 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL15031602 | 0.67 | — | — | |
| SCHEMBL28847815 | 0.67 | TP53 (0.32) | — | |
| SCHEMBL28002538 | 0.67 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200356001-A1 | PHOTORESIST COMPOSITIONS AND METHODS OF FORMING RESIST PATTERNS WITH SUCH COMPOSITIONS | ROHM AND HAAS ELECTRONIC MATERIALS LLC | 2020-11-12 | — | — | US | disclosed |