⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12737784 | 0.85 | PDPK1 (0.32) | — | |
| SCHEMBL18760826 | 0.78 | — | — | |
| SCHEMBL18760827 | 0.71 | — | — | |
| SCHEMBL2756547 | 0.69 | NPC1 (0.33) | — | |
| SCHEMBL2225435 | 0.69 | HDAC1 (0.46) | — | |
| SCHEMBL14644970 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL10311038 | 0.68 | CDC7 (0.45) | — | |
| SCHEMBL16167911 | 0.67 | CCNE1 (0.36) | — | |
| SCHEMBL15491904 | 0.67 | PDPK1 (0.30) | — | |
| SCHEMBL23367909 | 0.67 | SMN1; SMN2 (0.47) | — |
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-9666805-B2 | Bithiophene sulfonamide-based molecular and polymeric semiconductors | NORTHWESTERN UNIVERSITY (US) | 2017-05-30 | — | — | US | disclosed |