⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL348208 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL116714 | 0.77 | — | — | |
| SCHEMBL17953040 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL3077314 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL2617047 | 0.72 | — | — | |
| SCHEMBL6296784 | 0.72 | — | — | |
| SCHEMBL8736307 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL3229564 | 0.70 | — | — | |
| SCHEMBL43148 | 0.70 | — | — | |
| SCHEMBL3257772 | 0.70 | LMNA (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0931082-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2003-03-19 | — | — | EP | claimed |
| US-6221894-B1 | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS. | MERCK & CO., INC. | 2001-04-24 | — | — | US | claimed |
| WO-2023176458-A1 | DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND | 石原産業株式会社 | 2023-09-21 | — | — | WO | disclosed |
| EP-0931082-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2003-03-19 | — | — | EP | disclosed |