⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20536082 | 0.64 | KMT2A (0.30) | — | |
| SCHEMBL6070115 | 0.55 | FBP1 (0.34) | — | |
| SCHEMBL1393445 | 0.53 | — | — | |
| SCHEMBL10678930 | 0.52 | KMT2A (0.33) | — | |
| SCHEMBL3508035 | 0.49 | MAPT (0.34) | — | |
| SCHEMBL10427637 | 0.48 | — | — | |
| Perchlorate SCHEMBL5431160 | 0.38 | — | — | |
| Perchlorate SCHEMBL12980433 | 0.38 | — | — | |
| SCHEMBL31552438 | 0.38 | — | — | |
| SCHEMBL3343946 | 0.38 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326853-A1 | NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS | Warner-Lambert Company LLC (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002028847-A1 | NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-04-11 | — | — | WO | disclosed |
| US-5188830-A | Intravenous administration of Factor XIIIa inhibitor | MERCK & CO., INC. (US) | 1993-02-23 | — | — | US | disclosed |
| US-5185149-A | Intravenously administering an acyloxiranecarboxylic acid compound factor XIII inhibitor to lyse clots | MERCK & CO., INC. (US) | 1993-02-09 | — | — | US | disclosed |
| US-4968494-A | FACTOR VIIIA INHIBITOR | MERCK & CO., INC. (US) | 1990-11-06 | — | — | US | disclosed |
| EP-0294016-A2 | Factor XIIIa inhibitor compounds useful for thrombolytic therapy | MERCK & CO. INC. (US) | 1988-12-07 | — | — | EP | disclosed |