⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2773963 | 0.90 | MAPT (0.35) | — | |
| SCHEMBL7269137 | 0.89 | LMNA (0.34) | — | |
| SCHEMBL6367955 | 0.88 | ADORA3 (0.30) | — | |
| SCHEMBL28601849 | 0.86 | CNR1 (0.36) | — | |
| Styrene SCHEMBL6858832 | 0.85 | MEN1 (0.32) | — | |
| SCHEMBL6859864 | 0.83 | KMT2A (0.35) | — | |
| SCHEMBL6357418 | 0.83 | ADORA3 (0.31) | — | |
| SCHEMBL2776503 | 0.80 | — | — | |
| SCHEMBL7251880 | 0.79 | KDM4E (0.30) | — | |
| Indene SCHEMBL6834156 | 0.79 | CYP2D6 (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-6835804-B2 | Effecting deblocking reaction on an addition polymer in presence of acid catalyst | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2004-12-28 | — | — | US | disclosed |
| US-20020111459-A1 | Preparation of polymer, and resist composition using the polymer | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-08-15 | — | — | US | disclosed |