⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3844318 | 0.94 | — | — | |
| SCHEMBL1132127 | 0.94 | — | — | |
| Water SCHEMBL28193763 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL11051714 | 0.84 | FDPS (0.34) | — | |
| SCHEMBL24692372 | 0.82 | THRB (0.32) | — | |
| SCHEMBL27253529 | 0.82 | — | — | |
| Ethylenediamine SCHEMBL4651303 | 0.81 | ALDH1A1 (0.33) | — | |
| Methylamine SCHEMBL13254690 | 0.80 | ALDH1A1 (0.37) | — | |
| Methylamine SCHEMBL27883943 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL24692376 | 0.80 | THRB (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-6969742-B2 | Method of producing a functional polymer particle | FUJI XEROX CO., LTD. (JP) | 2005-11-29 | — | — | US | disclosed |
| US-20040039109-A1 | Method of producing a functional polymer particle | FUJI XEROX CO., LTD. (JP) | 2004-02-26 | — | — | US | disclosed |