⚠ 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 SCHEMBL8860000 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL8860001 | 0.96 | — | — | |
| SCHEMBL2292801 | 0.82 | — | — | |
| SCHEMBL7624311 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL27528256 | 0.71 | — | — | |
| SCHEMBL27446123 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7189405 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL27458280 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8599465 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27528252 | 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-1997042198-A1 | POLYSUBSTITUTED CYCLOPENTADIENE | DSM N.V. (NL) | 1997-11-13 | — | — | WO | disclosed |