⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2107941 | 0.69 | — | — | |
| SCHEMBL9912192 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL5478686 | 0.67 | — | — | |
| SCHEMBL2085562 | 0.67 | — | — | |
| SCHEMBL9420088 | 0.67 | — | — | |
| SCHEMBL9912197 | 0.65 | EPHX1 (0.40) | — | |
| SCHEMBL5475111 | 0.63 | — | — | |
| SCHEMBL18195416 | 0.63 | — | — | |
| SCHEMBL11171145 | 0.63 | — | — | |
| S-Ethyl Propylcarbamothioate SCHEMBL10974251 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030199698-A1 | Carbamic acid esters as inhibitors of factor xa | MERCK PATENT GMBH (DE) | 2003-10-23 | — | — | US | disclosed |
| US-20030187037-A1 | Acetamide derivatives and the use thereof as inhibitors of coagulation factors xa and viia | MERCK-PATENT GMBH (DE) | 2003-10-02 | — | — | US | disclosed |
| US-20030171579-A1 | Urethane derivatives | MERCK PATENT GMBH (DE) | 2003-09-11 | — | — | US | disclosed |
| US-20030166694-A1 | Glycinamides | MERCK PATENT GMBH (DE) | 2003-09-04 | — | — | US | disclosed |
| EP-1309573-A1 | URETHANE DERIVATIVES | MERCK PATENT GmbH (DE) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002010145-A1 | URETHANE DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-02-07 | — | — | WO | disclosed |