⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28841323 | 0.86 | TSHR (0.35) | — | |
| SCHEMBL28841387 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL28841375 | 0.76 | MEN1 (0.39) | — | |
| SCHEMBL28841432 | 0.76 | MEN1 (0.39) | — | |
| SCHEMBL28841357 | 0.76 | MEN1 (0.39) | — | |
| SCHEMBL426771 | 0.76 | — | — | |
| SCHEMBL4898346 | 0.75 | — | — | |
| Fluoride SCHEMBL1898729 | 0.74 | — | — | |
| Bromide SCHEMBL2121618 | 0.74 | — | — | |
| Bromide SCHEMBL557590 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101535179-A | Activated carbon and method for producing the same | SUMITOMO CHEMICAL CO (JP) | 2009-09-16 | — | — | CN | disclosed |
| CN-101184691-A | Electric double layer capacitor | SUMITOMO CHEMICAL CO (JP) | 2008-05-21 | — | — | CN | disclosed |