⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29244092 | 0.75 | — | — | |
| SCHEMBL5695938 | 0.74 | — | — | |
| SCHEMBL7416135 | 0.69 | — | — | |
| SCHEMBL30142948 | 0.68 | — | — | |
| SCHEMBL27622160 | 0.66 | — | — | |
| SCHEMBL565453 | 0.66 | — | — | |
| SCHEMBL2927534 | 0.66 | — | — | |
| SCHEMBL9876093 | 0.66 | — | — | |
| SCHEMBL1541650 | 0.64 | — | — | |
| SCHEMBL29254281 | 0.64 | POLB (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6191171-B1 | ANTAGONISTS, USEFUL IN INHIBITION OR PREVENTION OF CELL ADHESION AND CELL-ADHESION MEDIATED PATHOLOGIES; FOR DRUGS FOR TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, MULTIPLE SCLEROSIS, AND OTHER INFLAMMATORY AND AUTOIMMUNE DISORDERS | MERCK & CO., INC. | 2001-02-20 | — | — | US | disclosed |
| WO-1999026923-A1 | PARA-AMINOMETHYLARYL CARBOXAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | disclosed |