⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24947639 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL471457 | 0.74 | — | — | |
| SCHEMBL11320623 | 0.72 | — | — | |
| SCHEMBL22182043 | 0.72 | — | — | |
| SCHEMBL764889 | 0.69 | — | — | |
| SCHEMBL24553843 | 0.69 | CA2 (0.43) | — | |
| Catechol SCHEMBL6544958 | 0.68 | ALDH1A1 (0.83) | — | |
| Catechol SCHEMBL2783599 | 0.68 | ALDH1A1 (0.83) | — | |
| Catechol SCHEMBL10340128 | 0.68 | ALDH1A1 (0.83) | — | |
| SCHEMBL24925937 | 0.67 | TRPA1 (0.46) | — |
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-2007117559-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |