⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17828313 | 0.81 | — | — | |
| SCHEMBL2866353 | 0.80 | — | — | |
| SCHEMBL5045895 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL6895322 | 0.69 | — | — | |
| SCHEMBL7532204 | 0.69 | MEN1 (0.39) | — | |
| SCHEMBL5046289 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL5038315 | 0.69 | MEN1 (0.39) | — | |
| SCHEMBL4913690 | 0.67 | HSD17B10 (0.38) | — | |
| SCHEMBL17530057 | 0.66 | TSHR (0.44) | — | |
| SCHEMBL15253826 | 0.66 | TSHR (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-RE44096-E1 | Fluorine-containing compound having hydrolyzable metal alkoxide moiety, curable fluorine-containing polymer prepared from the same compound, and curable fluorine-containing resin composition comprising the same polymer | DAIKIN INDUSTRIES, LTD. (JP) | 2013-03-19 | — | — | US | disclosed |