⚠ 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 SCHEMBL7527881 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7528539 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7545338 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7540457 | 0.83 | — | — | |
| SCHEMBL7543195 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7537481 | 0.78 | — | — | |
| SCHEMBL7522512 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7545198 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7517072 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7524868 | 0.77 | — | — |
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-20020077433-A1 | Catalyst system for the polymerization of dienes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | US | disclosed |