⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7959014 | 0.85 | — | — | |
| SCHEMBL8487725 | 0.82 | KCNH2 (0.30) | — | |
| SCHEMBL797555 | 0.80 | TLR7 (0.33) | — | |
| SCHEMBL791319 | 0.75 | IDH1 (0.31) | — | |
| SCHEMBL790022 | 0.74 | HSP90AA1 (0.35) | — | |
| SCHEMBL5677116 | 0.71 | — | — | |
| SCHEMBL789989 | 0.71 | — | — | |
| SCHEMBL3289407 | 0.71 | — | — | |
| SCHEMBL797777 | 0.69 | CYP3A4 (0.36) | — | |
| SCHEMBL7945725 | 0.69 | KDM4E (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6211190-B1 | Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2001-04-03 | — | — | US | disclosed |
| US-6200997-B1 | CYCLIZATION TO GIVE OXAZOLIDINEDIONES AND TRIAZOLIDINEDIONES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-13 | — | — | US | disclosed |
| CN-1187814-A | (hetero) aryloxy-, -thio-and-aminocrotonates, preparation and use thereof | BASF AG (DE) | 1998-07-15 | — | — | CN | disclosed |
| CN-1161687-A | Phenylacetic acid alkyl esters | BASF AG (DE) | 1997-10-08 | — | — | CN | disclosed |