⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22753456 | 0.94 | CHRM2 (0.31) | — | |
| SCHEMBL20762965 | 0.80 | CHRM2 (0.35) | — | |
| SCHEMBL22594022 | 0.80 | — | — | |
| SCHEMBL24398976 | 0.80 | — | — | |
| SCHEMBL2507171 | 0.80 | — | — | |
| SCHEMBL2550428 | 0.79 | — | — | |
| SCHEMBL22588629 | 0.76 | — | — | |
| SCHEMBL25166698 | 0.76 | — | — | |
| SCHEMBL22588694 | 0.76 | — | — | |
| SCHEMBL8431425 | 0.76 | — | — |
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-5068062-A | Crosslinked resin containing 4,4*-diaminodiphenylmethane units with the amine quaternized and an electrolytic material | TEIJIN LIMITED (JP) | 1991-11-26 | — | — | US | disclosed |