⚠ 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 | |
|---|---|---|---|---|
| 4-Vinylphenol SCHEMBL925059 | 0.88 | S100B (0.31) | — | |
| SCHEMBL925884 | 0.87 | KCNH2 (0.32) | — | |
| SCHEMBL923834 | 0.86 | PPARG (0.33) | — | |
| SCHEMBL927484 | 0.83 | CHRNB2 (0.33) | — | |
| SCHEMBL547158 | 0.80 | RELA (0.32) | — | |
| Indene SCHEMBL927491 | 0.77 | — | — | |
| SCHEMBL926416 | 0.75 | PRMT1 (0.32) | — | |
| 4-Vinylphenol SCHEMBL2190252 | 0.73 | S100B (0.46) | — | |
| Indene SCHEMBL924870 | 0.72 | — | — | |
| SCHEMBL3131329 | 0.70 | NPC1 (0.32) | — |
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-8389201-B2 | Positive resist composition and pattern forming process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-03-05 | — | — | US | disclosed |
| US-20110003251-A1 | POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-01-06 | — | — | US | disclosed |