⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8441007 | 0.78 | CES2 (0.36) | — | |
| SCHEMBL693122 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL11229618 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL3395201 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL4958852 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL9119248 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL11540653 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL1692351 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL5802863 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL2304845 | 0.74 | CES2 (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218350-A1 | 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001025216-A1 | 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-04-12 | — | — | WO | disclosed |