⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27473818 | 0.64 | DDB1 (0.30) | — | |
| SCHEMBL28057622 | 0.56 | — | — | |
| SCHEMBL27914077 | 0.54 | CHRNB2 (0.30) | — | |
| SCHEMBL27914085 | 0.51 | — | — | |
| SCHEMBL27932034 | 0.47 | GRIN2D (0.31) | — | |
| SCHEMBL8189598 | 0.45 | GRIN2D (0.46) | — | |
| SCHEMBL21399833 | 0.45 | — | — | |
| SCHEMBL18265699 | 0.44 | — | — | |
| SCHEMBL910591 | 0.43 | — | — | |
| SCHEMBL19415163 | 0.42 | — | — |
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-105531252-A | Process for the preparation of beta-cyclolavandulal and derivatives thereof | SHINETSU CHEMICAL CO | 2016-04-27 | — | — | CN | disclosed |