⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30371 | 0.98 | — | — | |
| SCHEMBL28222175 | 0.90 | PDE4A (0.37) | — | |
| Carbamic Acid SCHEMBL27921000 | 0.90 | NPC1 (0.43) | — | |
| Pyridine SCHEMBL28823602 | 0.86 | KMT2A (0.36) | — | |
| SCHEMBL18190 | 0.78 | NPC1 (0.42) | — | |
| Quinoline SCHEMBL27521930 | 0.78 | ALDH1A1 (0.52) | — | |
| SCHEMBL1973074 | 0.76 | — | — | |
| SCHEMBL4765851 | 0.76 | — | — | |
| SCHEMBL10834562 | 0.74 | — | — | |
| SCHEMBL34651 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101678354-A | The Preparation of catalysts that is used for bisphenol production | DOW GLOBAL TECHNOLOGIES INC | 2010-03-24 | — | — | CN | disclosed |