⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3392036 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL1262306 | 0.78 | — | — | |
| SCHEMBL1648380 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27766714 | 0.77 | ECE1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL27766735 | 0.77 | ECE1 (0.30) | — | |
| SCHEMBL18701281 | 0.77 | GRIK1 (0.40) | — | |
| SCHEMBL7303693 | 0.76 | — | — | |
| SCHEMBL17747533 | 0.76 | — | — | |
| SCHEMBL7303192 | 0.76 | — | — | |
| SCHEMBL17087511 | 0.76 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1159273-A1 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2001-12-05 | — | — | EP | disclosed |
| US-6117822-A | AS HERBICIDES AND PLANT DESICCANTS AND/OR DEFOLIANTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-12 | — | — | US | disclosed |
| WO-2000051998-A1 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| EP-0788479-B1 | SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT | BASF AG (DE) | 2000-04-19 | — | — | EP | disclosed |
| EP-0939078-A2 | Substituted phthalimido-cinnamic acid derivatives with herbicidal activity | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-01 | — | — | EP | disclosed |
| US-5807807-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-15 | — | — | US | disclosed |
| US-5707937-A | AGRICULTURAL HERBICIDES, DESICCANTS, DEFOLIANTS, HARVESTING AIDS | BASF AKTIENGESELLSCHAFT (DE) | 1998-01-13 | — | — | US | disclosed |
| EP-0788479-A1 | SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-13 | — | — | EP | disclosed |
| WO-1996014298-A1 | SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT | BASF AKTIENGESELLSCHAFT (DE) | 1996-05-17 | — | — | WO | disclosed |