⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL486929 | 0.95 | — | — | |
| SCHEMBL27697697 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL28187346 | 0.91 | — | — | |
| SCHEMBL28249991 | 0.91 | — | — | |
| SCHEMBL27338937 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL28770657 | 0.91 | — | — | |
| SCHEMBL28323062 | 0.91 | — | — | |
| SCHEMBL28483832 | 0.91 | — | — | |
| SCHEMBL27276307 | 0.91 | — | — | |
| Ethylene SCHEMBL1576558 | 0.87 | — | — |
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-108947867-A | Bicyclic alkyl compound and synthesis | 卡利拉制药公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-106232567-A | Propalane derivatives and synthesis | 卡利拉制药公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-105814013-A | Bicycloalkyl compounds and synthesis | 卡利拉制药公司 | 2016-07-27 | — | — | CN | disclosed |