⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9521322 | 0.82 | — | — | |
| SCHEMBL15756124 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL25558178 | 0.80 | — | — | |
| SCHEMBL9520485 | 0.80 | — | — | |
| SCHEMBL2757772 | 0.79 | — | — | |
| SCHEMBL20588782 | 0.76 | — | — | |
| SCHEMBL7587083 | 0.76 | ATM (0.33) | — | |
| SCHEMBL15756122 | 0.74 | PABPC1 (0.38) | — | |
| SCHEMBL19714171 | 0.74 | PABPC1 (0.38) | — | |
| SCHEMBL2757785 | 0.74 | PABPC1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8747535-B1 | Solid ink compositions comprising crystalline-amorphous mixtures | XEROX CORPORATION (US) | 2014-06-10 | — | — | US | disclosed |
| US-8747535-B1 | Solid ink compositions comprising crystalline-amorphous mixtures | XEROX CORPORATION (US) | 2014-06-10 | — | — | US | disclosed |
| US-8741044-B1 | Cycylohexyl-mannitol diketal derivatives as vehicle modifiers and gelators | XEROX CORPORATION (US) | 2014-06-03 | — | — | US | disclosed |
| US-8741044-B1 | Cycylohexyl-mannitol diketal derivatives as vehicle modifiers and gelators | XEROX CORPORATION (US) | 2014-06-03 | — | — | US | disclosed |