⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11511284 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL211290 | 0.78 | — | — | |
| SCHEMBL109552 | 0.75 | — | — | |
| Water SCHEMBL11043956 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL6608458 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL3446836 | 0.73 | — | — | |
| SCHEMBL19874572 | 0.73 | — | — | |
| SCHEMBL7782415 | 0.73 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL10492582 | 0.73 | — | — | |
| SCHEMBL30748826 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4196287-A | Process for the catalytic production of 2-substituted pyridines | LONZA LTD. (CH) | 1980-04-01 | — | — | US | claimed |
| WO-2004009559-A2 | DIHYDROURACIL COMPOUNDS AS ANTI-ICTOGENIC OR ANTI-EPILEPTOGENIC AGENTS | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2004-01-29 | — | — | WO | disclosed |
| US-4196287-A | Process for the catalytic production of 2-substituted pyridines | LONZA LTD. (CH) | 1980-04-01 | — | — | US | disclosed |