⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL404185 | 0.84 | LMNA (0.30) | — | |
| SCHEMBL11672623 | 0.84 | — | — | |
| SCHEMBL28523257 | 0.84 | LMNA (0.30) | — | |
| SCHEMBL28912513 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL28559529 | 0.78 | — | — | |
| SCHEMBL7870529 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL4456611 | 0.76 | — | — | |
| SCHEMBL356198 | 0.76 | — | — | |
| Teflurane SCHEMBL566553 | 0.76 | — | — | |
| SCHEMBL28524528 | 0.73 | — | — |
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-107586251-A | One kind 1,1, Isosorbide-5-Nitrae, the preparation method of the butylene of 4,4 hexafluoro 2 | 江苏蓝色星球环保科技股份有限公司 | 2018-01-16 | — | — | CN | disclosed |