⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6361981 | 0.92 | — | — | |
| SCHEMBL8998059 | 0.88 | — | — | |
| SCHEMBL6820133 | 0.87 | — | — | |
| SCHEMBL7044766 | 0.77 | — | — | |
| SCHEMBL2418564 | 0.75 | — | — | |
| SCHEMBL13703708 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL1476599 | 0.72 | — | — | |
| SCHEMBL11380042 | 0.70 | CYP3A4 (0.56) | — | |
| SCHEMBL11224281 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL3684874 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5132437-A | — | — | None | — | — | JP | disclosed |
| JP-H05132437-A | CHLORINATION OF METHYLATED AROMATIC COMPOUND | KUREHA CHEM IND CO LTD | 1993-05-28 | — | — | JP | disclosed |