⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5399566 | 0.80 | MEN1 (0.36) | — | |
| SCHEMBL5399558 | 0.80 | MEN1 (0.36) | — | |
| SCHEMBL5477746 | 0.78 | MAP3K14 (0.35) | — | |
| SCHEMBL5402110 | 0.78 | MAP3K14 (0.35) | — | |
| SCHEMBL6606462 | 0.75 | — | — | |
| SCHEMBL6611246 | 0.74 | MEN1 (0.34) | — | |
| SCHEMBL7448616 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL5402643 | 0.65 | MAOB (0.34) | — | |
| SCHEMBL7448622 | 0.64 | MAP3K14 (0.42) | — | |
| SCHEMBL5399150 | 0.63 | PPARD (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070249578-A1 | New amidino derivatives and their use as thrombin inhibitors | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | US | disclosed |
| US-7241757-B2 | Amidino derivatives and their use as thrombin inhibitors | ASTRAZENECA AB (SE) | 2007-07-10 | — | — | US | disclosed |
| US-20040186090-A1 | New amidino derivatives and their use as thrombin inhibitors | ASTRAZENECA AB (SE) | 2004-09-23 | — | — | US | disclosed |
| US-6750243-B1 | COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis | AstraZeneća AB (SE) | 2004-06-15 | — | — | US | disclosed |
| EP-1140820-B1 | NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2004-03-17 | — | — | EP | disclosed |
| EP-1140820-A1 | NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | AstraZeneca AB (SE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035869-A1 | NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2000-06-22 | — | — | WO | disclosed |