⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9837236 | 0.76 | — | — | |
| SCHEMBL11485992 | 0.74 | CYP2D6 (0.33) | — | |
| SCHEMBL11485986 | 0.74 | CYP2D6 (0.33) | — | |
| SCHEMBL5457739 | 0.69 | — | — | |
| Bicarbonate SCHEMBL8574704 | 0.65 | TDP1 (0.61) | — | |
| Acetic Acid SCHEMBL3444362 | 0.63 | TSHR (0.57) | — | |
| SCHEMBL1678669 | 0.63 | — | — | |
| SCHEMBL344033 | 0.63 | — | — | |
| Amylene Hydrate SCHEMBL3165163 | 0.63 | ALDH1A1 (0.47) | — | |
| Acetic Acid SCHEMBL28164603 | 0.63 | TSHR (0.57) | — |
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 |