⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11030675 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL7472074 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL15966537 | 0.65 | — | — | |
| SCHEMBL6176703 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL22024100 | 0.59 | PIK3CD (0.36) | — | |
| SCHEMBL3894053 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL7661201 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL9586122 | 0.58 | FDPS (0.32) | — | |
| SCHEMBL21497036 | 0.58 | — | — | |
| SCHEMBL2974694 | 0.57 | — | — |
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 |