⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11384458 | 0.78 | CHRNB2 (0.32) | — | |
| SCHEMBL8617023 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL339999 | 0.73 | CA12 (0.38) | — | |
| SCHEMBL1934992 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL79153 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL3233174 | 0.69 | — | — | |
| SCHEMBL10434814 | 0.69 | — | — | |
| SCHEMBL37338 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL6158095 | 0.67 | LMNA (0.42) | — | |
| SCHEMBL353354 | 0.65 | ALDH1A1 (0.36) | — |
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-7700803-B2 | Catalysts for producing carboxylic acid salts | BASF AKTIENGESELLSCHAFT (DE) | 2010-04-20 | — | — | US | disclosed |
| US-20050020850-A1 | Catalysts for producing carboxylic acid salts | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-27 | — | — | US | disclosed |
| US-6159894-A | Catalyst for dehydrogenation of amino alcohols to amino carboxylic acids or of ethylene glycol (derivatives) to oxycarboxylic acids, method for their production and their use | AKZO NOBEL NV (NL) | 2000-12-12 | — | — | US | disclosed |