⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9066005 | 0.89 | RARG (0.31) | — | |
| SCHEMBL9066270 | 0.83 | PTGS2 (0.35) | — | |
| SCHEMBL9066210 | 0.75 | RARG (0.32) | — | |
| Hydrochloric Acid SCHEMBL9066684 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9066459 | 0.73 | RARG (0.31) | — | |
| Hydrochloric Acid SCHEMBL7565380 | 0.70 | PTGS2 (0.39) | — | |
| SCHEMBL14817161 | 0.69 | RARG (0.40) | — | |
| SCHEMBL4868583 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL10318495 | 0.64 | — | — | |
| SCHEMBL9066665 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0540108-B1 | Catalyst composition | SHELL INT RESEARCH (NL) | 1996-01-03 | — | — | EP | claimed |