⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23149229 | 0.85 | THRB (0.32) | — | |
| SCHEMBL5310135 | 0.84 | — | — | |
| SCHEMBL5293375 | 0.80 | TSHR (0.40) | — | |
| SCHEMBL2026788 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL28005422 | 0.78 | CAMK2A (0.33) | — | |
| SCHEMBL2020095 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL28300534 | 0.76 | CHRM1 (0.46) | — | |
| SCHEMBL17114710 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL8986795 | 0.74 | TSHR (0.46) | — | |
| SCHEMBL28089557 | 0.74 | — | — |
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-2007037497-A1 | OPTICAL COMPENSATORY FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE | FUJIFILM CORPORATION (JP) | 2007-04-05 | — | — | WO | disclosed |