⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9421863 | 0.75 | — | — | |
| SCHEMBL8226985 | 0.72 | — | — | |
| SCHEMBL12132482 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL1230611 | 0.71 | — | — | |
| Acetic Acid SCHEMBL28317765 | 0.71 | — | — | |
| SCHEMBL437361 | 0.71 | — | — | |
| SCHEMBL9782312 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11303462 | 0.70 | — | — | |
| SCHEMBL8195640 | 0.70 | — | — | |
| SCHEMBL11675143 | 0.69 | — | — |
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-2004093915-A1 | PHARMACEUTICAL COMPOSITIONS FOR HEPATITIS C VIRAL PROTEASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) | 2004-11-04 | — | — | WO | disclosed |