⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19465277 | 0.91 | PGR (0.30) | — | |
| SCHEMBL15746897 | 0.87 | RORA (0.34) | — | |
| SCHEMBL19465279 | 0.79 | PGR (0.30) | — | |
| SCHEMBL19465276 | 0.72 | RORA (0.38) | — | |
| SCHEMBL19465263 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL19465259 | 0.69 | ESR1 (0.32) | — | |
| SCHEMBL15745689 | 0.68 | PGR (0.34) | — | |
| SCHEMBL24255016 | 0.66 | ALDH1A1 (0.41) | — | |
| SCHEMBL19465260 | 0.64 | — | — | |
| SCHEMBL24899533 | 0.63 | CA12 (0.33) | — |
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-9793483-B2 | Hexafluoroisopropanol group-containing diamine, polyimide and polyamide using same, cyclized product thereof, and method for producing same | CENTRAL GLASS COMPANY, LIMITED (JP) | 2017-10-17 | — | — | US | disclosed |