⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4453661 | 0.87 | — | — | |
| SCHEMBL8302552 | 0.64 | — | — | |
| SCHEMBL17662625 | 0.59 | — | — | |
| SCHEMBL15660133 | 0.58 | ALDH1A1 (0.31) | — | |
| SCHEMBL12656166 | 0.57 | — | — | |
| SCHEMBL7883405 | 0.54 | — | — | |
| SCHEMBL17662627 | 0.53 | — | — | |
| SCHEMBL17258697 | 0.52 | — | — | |
| SCHEMBL4872377 | 0.52 | DYRK1A (0.32) | — | |
| SCHEMBL3464607 | 0.51 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-5962499-A | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |