⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27573042 | 0.76 | POLB (0.32) | — | |
| SCHEMBL9514913 | 0.74 | — | — | |
| SCHEMBL1161446 | 0.72 | — | — | |
| SCHEMBL3318581 | 0.72 | — | — | |
| SCHEMBL24706899 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL31401188 | 0.70 | — | — | |
| SCHEMBL4386289 | 0.69 | — | — | |
| SCHEMBL3833618 | 0.69 | — | — | |
| SCHEMBL6940195 | 0.68 | — | — | |
| SCHEMBL441623 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501814-A1 | SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES | MERCK PATENT GmbH (DE) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093254-A1 | SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES | MERCK PATENT GMBH (DE) | 2003-11-13 | — | — | WO | disclosed |