⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL957780 | 0.78 | THRB (0.43) | — | |
| SCHEMBL4184561 | 0.78 | THRB (0.36) | — | |
| SCHEMBL6261463 | 0.76 | THRB (0.48) | — | |
| SCHEMBL11285641 | 0.76 | THRB (0.48) | — | |
| SCHEMBL11284699 | 0.76 | THRB (0.48) | — | |
| SCHEMBL426883 | 0.73 | THRB (0.46) | — | |
| SCHEMBL1608945 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL10942839 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL31253473 | 0.72 | — | — | |
| SCHEMBL37654 | 0.71 | THRB (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0041736-B1 | FLUOROCARBON ETHERS HAVING SUBSTITUTED HALOGEN SITE(S) AND PROCESS TO PREPARE | THE DOW CHEMICAL COMPANY (US) | 1984-05-09 | — | — | EP | disclosed |
| US-4337211-A | INTERMEDIATES FOR ION EXCHANGE RESINS | THE DOW CHEMICAL COMPANY (US) | 1982-06-29 | — | — | US | disclosed |
| EP-0041736-A1 | Fluorocarbon ethers having substituted halogen site(s) and process to prepare | THE DOW CHEMICAL COMPANY (US) | 1981-12-16 | — | — | EP | disclosed |