⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13430240 | 0.85 | HSD11B1 (0.30) | — | |
| SCHEMBL13430245 | 0.78 | HMGCR (0.32) | — | |
| SCHEMBL13334544 | 0.73 | HSD11B1 (0.36) | — | |
| SCHEMBL13430226 | 0.72 | HMGCR (0.39) | — | |
| SCHEMBL19766286 | 0.72 | SCN9A (0.32) | — | |
| SCHEMBL10120459 | 0.71 | EPHX2 (0.36) | — | |
| SCHEMBL16480370 | 0.69 | SHBG (0.38) | — | |
| SCHEMBL12587866 | 0.69 | LMNA (0.44) | — | |
| SCHEMBL2055318 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL9924484 | 0.68 | ALDH1A1 (0.46) | — |
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-20100062374-A1 | POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-03-11 | — | — | US | disclosed |