⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10771186 | 0.80 | — | — | |
| SCHEMBL3066999 | 0.68 | — | — | |
| SCHEMBL13652347 | 0.66 | TRPA1 (0.30) | — | |
| SCHEMBL891451 | 0.64 | SLC6A4 (0.33) | — | |
| Cyclohexane SCHEMBL2430538 | 0.63 | — | — | |
| SCHEMBL8019684 | 0.62 | SLC6A4 (0.33) | — | |
| SCHEMBL9063476 | 0.62 | SLC6A4 (0.33) | — | |
| SCHEMBL3388703 | 0.61 | SLC6A4 (0.34) | — | |
| SCHEMBL10268180 | 0.61 | SLC6A4 (0.34) | — | |
| SCHEMBL3384150 | 0.61 | MAPT (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1301550-B1 | METHOD FOR PREPARING A PHOTOCHROMIC POLYURETHANE LATEX AND APPLICATION TO OPHTHALMIC OPTICS | ESSILOR INT (FR) | 2008-08-13 | — | — | EP | disclosed |