⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2750938 | 0.82 | KMO (0.33) | — | |
| SCHEMBL17626166 | 0.80 | AHR (0.35) | — | |
| SCHEMBL16321350 | 0.79 | IDO1 (0.47) | — | |
| SCHEMBL3241324 | 0.77 | TTR (0.46) | — | |
| SCHEMBL468044 | 0.73 | RAB9A (0.41) | — | |
| SCHEMBL679565 | 0.73 | AHR (0.46) | — | |
| SCHEMBL533260 | 0.73 | — | — | |
| SCHEMBL468087 | 0.72 | CYP19A1 (0.45) | — | |
| SCHEMBL17625974 | 0.72 | PIK3CD (0.43) | — | |
| SCHEMBL17626155 | 0.69 | ALDH1A1 (0.33) | — |
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-5945380-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-08-31 | — | — | US | claimed |
| US-5945380-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-08-31 | — | — | US | disclosed |
| EP-0828738-A1 | PYRIDYL-THIAZOLES AND THEIR USE TO PROTECT PLANTS AGAINST INFECTIONS BY MICRO-ORGANISMS | BAYER AG (DE) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996037493-A1 | PYRIDYL-THIAZOLES AND THEIR USE TO PROTECT PLANTS AGAINST INFECTIONS BY MICRO-ORGANISMS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-28 | — | — | WO | disclosed |