⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL723755 | 0.74 | — | — | |
| SCHEMBL14227863 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL15947436 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL3884483 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2032274 | 0.61 | — | — | |
| SCHEMBL763460 | 0.58 | — | — | |
| SCHEMBL19850752 | 0.58 | — | — | |
| SCHEMBL94238 | 0.55 | — | — | |
| SCHEMBL3668918 | 0.55 | — | — | |
| SCHEMBL689737 | 0.55 | — | — |
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-5004661-A | Photoconductive member having symmetrical and unsymmetrical squaraine compositions | XEROX CORPORATION (US) | 1991-04-02 | — | — | US | disclosed |