⚠ 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 SCHEMBL7525195 | 0.98 | — | — | |
| SCHEMBL7542223 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7537344 | 0.75 | — | — | |
| SCHEMBL6938612 | 0.73 | — | — | |
| SCHEMBL7520426 | 0.73 | — | — | |
| SCHEMBL5909800 | 0.73 | — | — | |
| SCHEMBL5909759 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7533181 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7525201 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7533205 | 0.70 | — | — |
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 |