⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL109960 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL10308369 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL107888 | 0.77 | — | — | |
| SCHEMBL10308365 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL27543584 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL6782376 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL434564 | 0.72 | — | — | |
| SCHEMBL255878 | 0.72 | — | — | |
| SCHEMBL5051122 | 0.70 | LMNA (0.46) | — | |
| SCHEMBL24113 | 0.70 | — | — |
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-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 |
| CN-105418670-B | Poly- (acetenyl dimethyl silica) silsesquioxane of cage modle eight and its synthetic method | 华东理工大学 | 2018-02-09 | — | — | CN | disclosed |
| EP-0931082-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2003-03-19 | — | — | EP | disclosed |