⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7754684 | 0.73 | — | — | |
| SCHEMBL10827003 | 0.73 | — | — | |
| SCHEMBL17237979 | 0.73 | — | — | |
| SCHEMBL8882824 | 0.72 | — | — | |
| SCHEMBL1169064 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL5898716 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL23478346 | 0.68 | — | — | |
| Water SCHEMBL19458398 | 0.68 | — | — | |
| Iodide SCHEMBL19458347 | 0.68 | — | — | |
| Fluoride SCHEMBL19458344 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6777431-B2 | ANTICOAGULANTS | CORVAS INTERNATIONAL, INC. | 2004-08-17 | — | — | US | claimed |
| US-20140213532-A1 | COMPOSITIONS AND METHODS FOR ENHANCING DRUG DELIVERY ACROSS AND INTO EPITHELIAL TISSUES | KAI PHARMACEUTICALS, INC. (US) | 2014-07-31 | — | — | US | disclosed |
| US-5883107-A | ANTITHROMBOTIC AGENTS | CORVAS INTERNATIONAL, INC. (US) | 1999-03-16 | — | — | US | disclosed |