⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9701885 | 0.73 | TAAR1 (0.34) | — | |
| SCHEMBL9701922 | 0.70 | ESR1 (0.41) | — | |
| SCHEMBL9703273 | 0.69 | LMNA (0.37) | — | |
| SCHEMBL9702021 | 0.65 | MAOB (0.50) | — | |
| SCHEMBL9703320 | 0.62 | AGXT (0.54) | — | |
| SCHEMBL7403237 | 0.62 | — | — | |
| SCHEMBL9702766 | 0.62 | MAOB (0.44) | — | |
| SCHEMBL9703429 | 0.62 | MAOB (0.49) | — | |
| SCHEMBL9701919 | 0.60 | MEN1 (0.43) | — | |
| SCHEMBL9701657 | 0.60 | AOC2 (0.55) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5120764-A | Administering penicillamine and allenylamines to inhibit crosslinking of collagen | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0374440-A2 | Inhibitors of lysyl oxidase | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-06-27 | — | — | EP | disclosed |