⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4273352 | 0.78 | — | — | |
| SCHEMBL27492594 | 0.63 | IKBKB (0.38) | — | |
| SCHEMBL27491888 | 0.63 | ALDH1A1 (0.37) | — | |
| SCHEMBL2846686 | 0.60 | — | — | |
| SCHEMBL4276860 | 0.57 | POLB (0.33) | — | |
| SCHEMBL28057599 | 0.56 | — | — | |
| SCHEMBL4269538 | 0.54 | — | — | |
| SCHEMBL31388120 | 0.54 | — | — | |
| SCHEMBL4580954 | 0.53 | GAA (0.43) | — | |
| SCHEMBL11658096 | 0.52 | DNM1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105531251-A | Method for producing cyclolavandulol and derivative thereof | SHINETSU CHEMICAL CO | 2016-04-27 | — | — | CN | disclosed |
| CN-105531252-A | Process for the preparation of beta-cyclolavandulal and derivatives thereof | SHINETSU CHEMICAL CO | 2016-04-27 | — | — | CN | disclosed |