⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2970632 | 0.69 | — | — | |
| SCHEMBL28298849 | 0.65 | CA2 (0.32) | — | |
| SCHEMBL23242 | 0.62 | — | — | |
| SCHEMBL4848140 | 0.62 | CA2 (0.30) | — | |
| Ethanesulfonic Acid Amide SCHEMBL27615260 | 0.61 | CA1 (0.41) | — | |
| SCHEMBL14629253 | 0.61 | — | — | |
| SCHEMBL8536249 | 0.61 | CA1 (0.48) | — | |
| SCHEMBL11237588 | 0.60 | ACHE (0.31) | — | |
| SCHEMBL17262105 | 0.60 | — | — | |
| Ethane SCHEMBL9189266 | 0.60 | — | — |
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-7705146-B2 | Hepatitis C inhibitor peptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-27 | — | — | US | disclosed |