⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9319355 | 0.97 | — | — | |
| SCHEMBL9320841 | 0.81 | MEN1 (0.55) | — | |
| SCHEMBL5865050 | 0.74 | — | — | |
| SCHEMBL17266170 | 0.72 | ALDH1A1 (0.40) | — | |
| Ethylene Glycol SCHEMBL11513155 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL9778632 | 0.72 | — | — | |
| SCHEMBL28668591 | 0.71 | — | — | |
| Triethylene Glycol SCHEMBL9320833 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL28586082 | 0.71 | — | — | |
| SCHEMBL35692 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4141846-A | XANTHATE-SUBSTITUTED SULFUR-BRIDGED RINGS, ODORLESS | EDWIN COOPER AND COMPANY LIMITED (GB) | 1979-02-27 | — | — | US | disclosed |