⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8728222 | 0.75 | — | — | |
| SCHEMBL1984807 | 0.75 | THRB (0.32) | — | |
| SCHEMBL4581559 | 0.72 | THRB (0.31) | — | |
| SCHEMBL7595780 | 0.72 | THRB (0.31) | — | |
| SCHEMBL8519213 | 0.71 | — | — | |
| SCHEMBL10399297 | 0.70 | THRB (0.40) | — | |
| SCHEMBL10597533 | 0.70 | THRB (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL9718361 | 0.69 | — | — | |
| SCHEMBL28125883 | 0.68 | — | — | |
| SCHEMBL152334 | 0.67 | — | — |
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-107721845-A | A kind of method for synthesizing fluorine neoprene diacid | 中国民航大学 | 2018-02-23 | — | — | CN | disclosed |