⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11758314 | 0.78 | — | — | |
| SCHEMBL8539868 | 0.75 | INMT (0.56) | — | |
| SCHEMBL11561841 | 0.74 | — | — | |
| SCHEMBL9681470 | 0.71 | — | — | |
| SCHEMBL10975928 | 0.71 | — | — | |
| SCHEMBL10978172 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL11561819 | 0.63 | KDM4E (0.32) | — | |
| SCHEMBL11557468 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL11407307 | 0.56 | — | — | |
| SCHEMBL21859351 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6403535-B1 | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-11 | — | — | US | disclosed |
| CN-1315952-A | Substituted thiazol (in) ylideneamino sulfonylamino (thio) carbonyl-triazolinones | BAYER AG (DE) | 2001-10-03 | — | — | CN | disclosed |
| EP-1115722-A1 | SUBSTITUTED THIAZOL(IN) YLIDENEAMINO SULFONYLAMINO (THIO)CARBONYl -TRIAZOLINONES | BAYER AG (DE) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000017196-A1 | sUBSTITUTED THIAZOL(IN) YLIDENEAMINO SULFONYLAMINO (THIO)CARBONYl -TRIAZOLINONES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-03-30 | — | — | WO | disclosed |