⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18335513 | 0.97 | TSHR (0.46) | — | |
| SCHEMBL297916 | 0.81 | TSHR (0.59) | — | |
| SCHEMBL15641386 | 0.78 | — | — | |
| SCHEMBL27926059 | 0.78 | TSHR (0.56) | — | |
| SCHEMBL4449233 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL4449226 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL16048299 | 0.75 | TSHR (0.53) | — | |
| SCHEMBL11510451 | 0.75 | TSHR (0.53) | — | |
| SCHEMBL20565358 | 0.75 | TSHR (0.53) | — | |
| SCHEMBL23258 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117043140-A | Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances | 拜耳公司 | 2023-11-10 | — | — | CN | disclosed |
| US-8765780-B2 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-20110269791-A1 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-03 | — | — | US | disclosed |
| US-7456174-B2 | 5-aminoindole derivatives as H3 inverse agonists | HOFFMANN-LA ROCHE INC. (US) | 2008-11-25 | — | — | US | disclosed |
| US-20060160855-A1 | 5-Aminoindole derivatives as H3 inverse agonists | HOFFMANN-LA ROCHE INC. | 2006-07-20 | — | — | US | disclosed |
| US-6506772-B1 | Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. | HOFFMANN-LA ROCHE INC. | 2003-01-14 | — | — | US | disclosed |