⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL526443 | 0.69 | — | — | |
| SCHEMBL5948986 | 0.69 | — | — | |
| SCHEMBL2976151 | 0.69 | — | — | |
| SCHEMBL7475746 | 0.67 | — | — | |
| SCHEMBL14892005 | 0.67 | — | — | |
| SCHEMBL2188532 | 0.67 | — | — | |
| SCHEMBL637673 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL5948318 | 0.64 | — | — | |
| SCHEMBL21881660 | 0.64 | — | — | |
| SCHEMBL3453922 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1127053-A1 | NOVEL 1-ARYL-4-THIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | 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 |
| WO-2000026194-A1 | NOVEL 1-ARYL-4-THIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-11 | — | — | WO | disclosed |