⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14456810 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL14850830 | 0.77 | — | — | |
| SCHEMBL12196256 | 0.74 | — | — | |
| SCHEMBL7161450 | 0.74 | — | — | |
| SCHEMBL3683084 | 0.71 | — | — | |
| SCHEMBL9769785 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL9769777 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL11508764 | 0.69 | — | — | |
| SCHEMBL365897 | 0.69 | — | — | |
| SCHEMBL7524506 | 0.69 | — | — |
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-6515011-B2 | Anticoagulants | MERCK & CO., INC. | 2003-02-04 | — | — | US | disclosed |
| US-20020119992-A1 | Thrombin inhibitors | MERCK & CO., INC. | 2002-08-29 | — | — | US | disclosed |
| WO-2002050056-A1 | BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-06-27 | — | — | WO | disclosed |