⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL966089 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL967662 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL5888479 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL968802 | 0.71 | — | — | |
| SCHEMBL6814021 | 0.64 | — | — | |
| SCHEMBL3185750 | 0.64 | — | — | |
| SCHEMBL4794516 | 0.64 | — | — | |
| Ethyl Chloride SCHEMBL8151697 | 0.62 | — | — | |
| SCHEMBL956046 | 0.62 | — | — | |
| SCHEMBL409596 | 0.61 | — | — |
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-2002020629-A2 | CATALYST SYSTEM FOR POLYMERISING DIENES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |