⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6361185 | 0.85 | — | — | |
| SCHEMBL7535602 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL6361681 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6357837 | 0.83 | — | — | |
| SCHEMBL8009734 | 0.83 | — | — | |
| SCHEMBL8853583 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6361668 | 0.83 | — | — | |
| SCHEMBL8853530 | 0.83 | — | — | |
| SCHEMBL7588525 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL5006754 | 0.75 | — | — |
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-4434032-A | Process for making symmetrical alkanediols and the bis-ethers thereof | BATTELLE DEVELOPMENT CORPORATION (US) | 1984-02-28 | — | — | US | disclosed |