⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9265868 | 0.78 | — | — | |
| SCHEMBL19873368 | 0.75 | — | — | |
| SCHEMBL6858305 | 0.75 | — | — | |
| SCHEMBL13282656 | 0.73 | — | — | |
| SCHEMBL8082956 | 0.73 | — | — | |
| SCHEMBL1244046 | 0.73 | — | — | |
| SCHEMBL19873371 | 0.69 | GRM5 (0.33) | — | |
| SCHEMBL3348245 | 0.69 | — | — | |
| SCHEMBL3898599 | 0.69 | — | — | |
| SCHEMBL9265364 | 0.69 | HDAC3 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024020529-A2 | NITRIFICATION INHIBITING HETEROCYCLES | CORTEVA AGRISCIENCE LLC (US) | 2024-01-25 | — | — | WO | disclosed |
| EP-2490541-A1 | 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME | H. Lundbeck A/S (DK) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011050063-A1 | 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME | H. LUNDBECK A/S (DK) | 2011-04-28 | — | — | WO | disclosed |
| WO-1996033181-A1 | ETHYNYLTHIAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1996-10-24 | — | — | WO | disclosed |