⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4844443 | 0.71 | CYP1A2 (0.38) | — | |
| SCHEMBL4853214 | 0.68 | CYP1A2 (0.42) | — | |
| SCHEMBL17799141 | 0.68 | — | — | |
| SCHEMBL4849453 | 0.68 | CYP1A2 (0.42) | — | |
| SCHEMBL4818459 | 0.64 | — | — | |
| SCHEMBL4848745 | 0.63 | — | — | |
| SCHEMBL4851887 | 0.63 | — | — | |
| SCHEMBL4851498 | 0.62 | CA1 (0.31) | — | |
| SCHEMBL26089 | 0.57 | ALDH1A1 (0.43) | — | |
| SCHEMBL31675098 | 0.56 | ALDH1A1 (0.44) | — |
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-20030127357-A1 | Electrode binder | SHELL OIL COMPANY | 2003-07-10 | — | — | US | disclosed |