⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2991431 | 1.00 | — | — | |
| SCHEMBL11585164 | 1.00 | — | — | |
| SCHEMBL197122 | 0.82 | — | — | |
| SCHEMBL197121 | 0.82 | — | — | |
| SCHEMBL8721546 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8945317 | 0.80 | PTGS1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL8945311 | 0.80 | PTGS1 (0.39) | — | |
| SCHEMBL4263223 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9807456 | 0.80 | PTGS1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL9807458 | 0.80 | PTGS1 (0.39) | — |
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-1999021008-A1 | PHARMACEUTICAL GRADE GARLIC | PHARMAPRINT, INC. (US) | 1999-04-29 | — | — | WO | disclosed |