⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9717540 | 1.00 | — | — | |
| SCHEMBL9717538 | 1.00 | — | — | |
| SCHEMBL9717522 | 0.93 | MEN1 (0.30) | — | |
| SCHEMBL9717526 | 0.93 | MEN1 (0.30) | — | |
| SCHEMBL9717517 | 0.93 | MEN1 (0.30) | — | |
| SCHEMBL9717563 | 0.81 | NPSR1 (0.33) | — | |
| SCHEMBL9717558 | 0.81 | NPSR1 (0.33) | — | |
| SCHEMBL9717501 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL9717507 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL9717553 | 0.81 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0240256-B1 | COMPOUNDS USEFUL IN TREATING SICKLE CELL ANEMIA | MERCK & CO. INC. (US) | 1992-04-29 | — | — | EP | disclosed |
| US-4751244-A | NITROALKENYL CARBOXYLIC ACIDS | MERCK & CO., INC. (US) | 1988-06-14 | — | — | US | disclosed |
| EP-0240256-A2 | Compounds useful in treating sickle cell anemia | MERCK & CO. INC. (US) | 1987-10-07 | — | — | EP | disclosed |