⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11807715 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL475134 | 0.79 | — | — | |
| SCHEMBL5154233 | 0.77 | — | — | |
| SCHEMBL7620138 | 0.77 | ZDHHC20 (0.31) | — | |
| SCHEMBL1862113 | 0.77 | — | — | |
| SCHEMBL7827896 | 0.77 | — | — | |
| SCHEMBL27942484 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL8066253 | 0.77 | CA12 (0.39) | — | |
| SCHEMBL11137624 | 0.76 | — | — | |
| SCHEMBL10629433 | 0.75 | ALDH1A1 (0.30) | — |
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-20070015759-A1 | Metasubstituted thiazolidinones, their manufacture and use as a drug | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-01-18 | — | — | US | disclosed |
| US-4956503-A | REACTION OF CYANAMIDE WITH ORTHOACETIC ACID ESTERS IN THE PRESENCE OF AN ACID CATALYST | SKW TROSTBERG AKTIENGESELLSCHAFT (DE) | 1990-09-11 | — | — | US | disclosed |
| US-4537946-A | POLYEDOXIDE CURING AGENTS | CIBA-GEIGY CORPORATION (US) | 1985-08-27 | — | — | US | disclosed |
| US-4499268-A | REACTING N-CYANO-N-(AR OR CYCLO)ALKYLCARBOXLIC AMINE WITH EITHER SODIUM(OR POTASSIUM) HYDROXIDE), AMINE, OR ALCOHOL | CIBA GEIGY CORPORATION (US) | 1985-02-12 | — | — | US | disclosed |
| US-3976643-A | FROM AN ANILINE AND CYANAMIDE | WILLIAM H. RORER, INC. (US) | 1976-08-24 | — | — | US | disclosed |