⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17014349 | 0.81 | — | — | |
| SCHEMBL13999136 | 0.75 | ESR1 (0.40) | — | |
| SCHEMBL14770071 | 0.75 | ALOX15 (0.32) | — | |
| SCHEMBL20152968 | 0.75 | CYP1A2 (0.33) | — | |
| SCHEMBL29822725 | 0.75 | ALOX15 (0.32) | — | |
| SCHEMBL16312967 | 0.75 | HDAC3 (0.34) | — | |
| SCHEMBL20152953 | 0.75 | PDE7A (0.38) | — | |
| SCHEMBL30785796 | 0.71 | HPGD (0.39) | — | |
| SCHEMBL17014371 | 0.69 | BCL2L1 (0.32) | — | |
| SCHEMBL20153037 | 0.67 | ESR1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |