⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8856870 | 0.72 | — | — | |
| Fluoride Ion SCHEMBL1130973 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL216577 | 0.71 | — | — | |
| SCHEMBL16994308 | 0.68 | — | — | |
| SCHEMBL19190626 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL3853139 | 0.65 | — | — | |
| SCHEMBL815124 | 0.64 | — | — | |
| SCHEMBL8147763 | 0.63 | — | — | |
| SCHEMBL7587321 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL6307155 | 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-2000035976-A1 | HYPERBRANCHED POLYMERS BY COORDINATION POLYMERIZATION | EXXON CHEMICAL PATENTS INC. (US) | 2000-06-22 | — | — | WO | disclosed |