⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8372985 | 0.73 | — | — | |
| SCHEMBL4755272 | 0.73 | — | — | |
| SCHEMBL29033055 | 0.69 | — | — | |
| SCHEMBL10788431 | 0.67 | LMNA (0.31) | — | |
| SCHEMBL295752 | 0.66 | — | — | |
| SCHEMBL28071195 | 0.63 | FDPS (0.33) | — | |
| SCHEMBL7863901 | 0.62 | — | — | |
| SCHEMBL16970077 | 0.62 | — | — | |
| SCHEMBL17487350 | 0.61 | — | — | |
| SCHEMBL11626766 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105801351-A | Application of cation exchange resin to improvement of yield in bromination reaction of hexanehexol | 广西梧州制药（集团）股份有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105801360-A | Method for preparing dibromohexanehexol | 广西梧州制药（集团）股份有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105801360-A | Method for preparing dibromohexanehexol | 广西梧州制药（集团）股份有限公司 | 2016-07-27 | — | — | CN | disclosed |