⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1964342 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL18311445 | 0.78 | HDAC4 (0.30) | — | |
| SCHEMBL510772 | 0.77 | — | — | |
| SCHEMBL9951675 | 0.74 | — | — | |
| SCHEMBL3050679 | 0.71 | — | — | |
| Trichloroethane SCHEMBL28474125 | 0.70 | GRIN2D (0.31) | — | |
| Acetic Acid SCHEMBL28298443 | 0.69 | OPRM1 (0.35) | — | |
| SCHEMBL11864030 | 0.68 | — | — | |
| SCHEMBL28511989 | 0.67 | — | — | |
| SCHEMBL8106039 | 0.67 | HDAC4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070195576-A1 | Organic compound having functional groups different in elimination reactivity at both terminals, organic thin film, organic device and method of producing the same | SHARP KABUSHIKI KAISHA (JP) | 2007-08-23 | — | — | US | disclosed |