⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5631757 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL2386145 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL9622524 | 0.82 | — | — | |
| SCHEMBL6484089 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL4455207 | 0.78 | PGD (0.33) | — | |
| SCHEMBL4180706 | 0.78 | PGD (0.33) | — | |
| SCHEMBL4180699 | 0.78 | PGD (0.33) | — | |
| SCHEMBL6496531 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL14433480 | 0.78 | — | — | |
| SCHEMBL21234118 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0145875-B1 | GAMMA-AMINOBUTYRIC ACID TRANSAMINASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-02-19 | — | — | EP | claimed |