⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13064081 | 0.91 | — | — | |
| SCHEMBL13328222 | 0.91 | — | — | |
| SCHEMBL12514942 | 0.86 | — | — | |
| SCHEMBL10070537 | 0.86 | — | — | |
| SCHEMBL13064084 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL9926618 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL10231749 | 0.78 | — | — | |
| SCHEMBL13939248 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL13328560 | 0.77 | — | — | |
| SCHEMBL13939252 | 0.77 | GPX4 (0.30) | — |
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-20120009527-A1 | PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-01-12 | — | — | US | disclosed |
| US-20100304297-A1 | PATTERNING PROCESS AND RESIST COMPOSITION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-12-02 | — | — | US | disclosed |
| US-20100159392-A1 | PATTERNING PROCESS AND RESIST COMPOSITION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-06-24 | — | — | US | disclosed |