⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29581937 | 1.00 | — | — | |
| SCHEMBL456395 | 0.80 | PTGS1 (0.55) | — | |
| SCHEMBL28547750 | 0.80 | PTGS1 (0.55) | — | |
| Cysteine SCHEMBL6192962 | 0.78 | PTGS1 (0.84) | — | |
| SCHEMBL2941639 | 0.74 | PTGS1 (0.55) | — | |
| SCHEMBL2941633 | 0.74 | PTGS1 (0.55) | — | |
| Cysteine SCHEMBL7898895 | 0.73 | PTGS1 (1.00) | — | |
| Cysteine SCHEMBL5705430 | 0.73 | PTGS1 (1.00) | — | |
| Cysteine SCHEMBL4289403 | 0.73 | — | — | |
| Cysteine SCHEMBL21110883 | 0.73 | PTGS1 (1.00) | — |
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-2005042027-A2 | ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR | AMGEN INC. (US) | 2005-05-12 | — | — | WO | disclosed |