⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4137125 | 0.74 | — | — | |
| SCHEMBL95520 | 0.70 | — | — | |
| SCHEMBL1193325 | 0.70 | — | — | |
| SCHEMBL140787 | 0.70 | — | — | |
| SCHEMBL234230 | 0.70 | — | — | |
| Propionic Acid SCHEMBL28253947 | 0.68 | FFAR3 (0.71) | — | |
| SCHEMBL5210 | 0.67 | — | — | |
| SCHEMBL22345231 | 0.67 | — | — | |
| SCHEMBL2538603 | 0.67 | — | — | |
| SCHEMBL1931434 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6291672-B1 | FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION | SANOFI-SYNTHELABO (FR) | 2001-09-18 | — | — | US | claimed |
| CN-109071446-B | Organic reaction in aqueous solution in the presence of hydroxyalkyl (alkyl) cellulose or alkylcellulose | 艾伯维德国有限责任两合公司 | 2022-06-21 | — | — | CN | disclosed |
| CN-107011176-B | Process for preparing ring-halogenated N, N-dialkylbenzylamines | 朗盛德国有限责任公司 | 2021-07-06 | — | — | CN | disclosed |
| CN-1302298-A | Substituted (4-brompyrazole-3-yl) indole | BASF AG (DE) | 2001-07-04 | — | — | CN | disclosed |
| CN-1244865-A | Substituted pyrazole-3-yl benzazoles | BASF AK (DE) | 2000-02-16 | — | — | CN | disclosed |
| CN-1172477-A | Substituted 2 -phenylpyridines as herbicides | BASF AG (DE) | 1998-02-04 | — | — | CN | disclosed |