⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6908067 | 0.98 | — | — | |
| SCHEMBL5609975 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2153031 | 0.72 | — | — | |
| SCHEMBL7052021 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL3108706 | 0.65 | — | — | |
| SCHEMBL7620947 | 0.64 | — | — | |
| SCHEMBL8357761 | 0.63 | — | — | |
| SCHEMBL3663605 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL8769059 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL8769218 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004106391-A1 | POLYMER-BASED MATERIAL | MERCK PATENT GMBH (DE) | 2004-12-09 | — | — | WO | disclosed |