⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28585678 | 0.90 | ALDH1A1 (0.33) | — | |
| SCHEMBL31544632 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL31414416 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL27697751 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL3132072 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL11333430 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL9302435 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL9301632 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL10339368 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL9251422 | 0.77 | TSHR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105908509-A | Fluorine-containing fabric finishing agent and preparation method thereof | 无锡市金五星针纺有限公司 | 2016-08-31 | — | — | CN | disclosed |