⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29276731 | 0.60 | ESR2 (0.39) | — | |
| SCHEMBL16322012 | 0.58 | — | — | |
| SCHEMBL628725 | 0.53 | ESR2 (0.43) | — | |
| SCHEMBL1660786 | 0.52 | — | — | |
| SCHEMBL13513043 | 0.51 | ALDH1A1 (0.35) | — | |
| SCHEMBL4502804 | 0.50 | — | — | |
| SCHEMBL9371184 | 0.49 | — | — | |
| SCHEMBL6684734 | 0.49 | MEN1 (0.33) | — | |
| SCHEMBL3200756 | 0.49 | — | — | |
| SCHEMBL15456369 | 0.49 | POLB (0.32) | — |
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-2023287209-A1 | COMPOUND, COMPOSITION COMPRISING SAME, MOLDED PRODUCT, DYED PRODUCT, AND OPTICAL LAYER | 동우 화인켐 주식회사 | 2023-01-19 | — | — | WO | disclosed |