⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9974653 | 0.87 | MAPT (0.34) | — | |
| SCHEMBL9974652 | 0.80 | NPC1 (0.37) | — | |
| SCHEMBL10332091 | 0.80 | GABRP (0.39) | — | |
| SCHEMBL10456879 | 0.78 | NPC1 (0.42) | — | |
| SCHEMBL9974648 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL9974649 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL12353618 | 0.78 | — | — | |
| SCHEMBL14548633 | 0.78 | NPC1 (0.46) | — | |
| SCHEMBL13183855 | 0.78 | NPC1 (0.37) | — | |
| SCHEMBL10332111 | 0.77 | GABRP (0.36) | — |
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-20110205289-A1 | INK COMPOSITION, INK SET AND IMAGE FORMING METHOD USING THE SAME | FUJIFILM CORPORATION (JP) | 2011-08-25 | — | — | US | disclosed |