⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5458815 | 0.81 | CA2 (0.48) | — | |
| SCHEMBL5450028 | 0.74 | — | — | |
| SCHEMBL1119661 | 0.72 | CHRM1 (0.35) | — | |
| SCHEMBL2133335 | 0.65 | — | — | |
| Alanine SCHEMBL4230116 | 0.61 | SLC7A5 (0.54) | — | |
| SCHEMBL2050880 | 0.61 | SLC1A2 (0.61) | — | |
| SCHEMBL1452605 | 0.61 | HDAC1 (0.39) | — | |
| SCHEMBL78599 | 0.61 | — | — | |
| Hydrogen Peroxide SCHEMBL2783488 | 0.61 | — | — | |
| SCHEMBL15355765 | 0.61 | — | — |
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-20070259134-A1 | Cellulose Compound Film, Optical Compensation Sheet, Polarizing Plate, and Liquid Crystal Display Device | FUJIFILM CORPORATION (JP) | 2007-11-08 | — | — | US | disclosed |