⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8192002 | 0.90 | HPGD (0.35) | — | |
| SCHEMBL1394143 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL4309465 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL2720170 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL261261 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL19510386 | 0.72 | — | — | |
| SCHEMBL216309 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL216308 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL18269630 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL388743 | 0.69 | SLC6A3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4351933-A | Vinyl substituted cyclic polyethers and addition polymers thereof | THE DOW CHEMICAL CO. (US) | 1982-09-28 | — | — | US | disclosed |
| US-4331785-A | CONCENTRATION OF ALKALI METAL SALTS FROM AQUEOUS SOLUTION | THE DOW CHEMICAL CO. (US) | 1982-05-25 | — | — | US | disclosed |