⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9771090 | 0.79 | OR51E2 (0.33) | — | |
| Glutaconate SCHEMBL2514167 | 0.77 | ALDH1A1 (0.65) | — | |
| Glutaconate SCHEMBL21841 | 0.77 | — | — | |
| Glutaconate SCHEMBL688877 | 0.77 | — | — | |
| Glutaconate SCHEMBL12230 | 0.77 | — | — | |
| SCHEMBL3134391 | 0.75 | CYP2D6 (1.00) | — | |
| SCHEMBL190067 | 0.75 | CYP2D6 (1.00) | — | |
| SCHEMBL213024 | 0.75 | CYP2D6 (1.00) | — | |
| SCHEMBL28168136 | 0.75 | CYP2D6 (1.00) | — | |
| Glutaconate SCHEMBL8088027 | 0.74 | ALDH1A1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4929754-A | CARDIOVASCULAR DISORDERS, ANTICOAGULANTS, ANTITUMOR AGENTS | DR. KARL THOMAE GMBH (DE) | 1990-05-29 | — | — | US | disclosed |
| US-4870076-A | ANTICOAGULANTS | KARL THOMAE GMBH (DE) | 1989-09-26 | — | — | US | disclosed |
| US-4820705-A | ANTITUMOR, CARDIOVASCULR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1989-04-11 | — | — | US | disclosed |
| EP-0262395-A2 | Sulfonamido-ethyl compounds, medicines containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-04-06 | — | — | EP | disclosed |
| EP-0194548-A2 | Sulfonylaminoethyl compounds, medicines containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1986-09-17 | — | — | EP | disclosed |