⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8487725 | 0.90 | KCNH2 (0.30) | — | |
| SCHEMBL7954458 | 0.85 | — | — | |
| SCHEMBL797555 | 0.77 | TLR7 (0.33) | — | |
| SCHEMBL790022 | 0.75 | HSP90AA1 (0.35) | — | |
| SCHEMBL7954356 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL9519023 | 0.73 | CYP2C19 (0.35) | — | |
| SCHEMBL791319 | 0.72 | IDH1 (0.31) | — | |
| SCHEMBL13572990 | 0.69 | HSP90AA1 (0.52) | — | |
| SCHEMBL18647595 | 0.69 | MBOAT4 (0.42) | — | |
| SCHEMBL5677116 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5194438-A | Plant safe fungicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-03-16 | — | — | US | claimed |
| 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 |
| US-5554578-A | Oxime ether derivatives, their preparation and fungicides containing these derivatives | BASF AKTIENGESELLSCHAFT (DE) | 1996-09-10 | — | — | US | disclosed |
| US-5468717-A | Oxime ether derivatives, their preparation and fungicides containing these derivatives | BASF AKTIENGESELLSCHAFT (DE) | 1995-11-21 | — | — | US | disclosed |
| US-5334577-A | 2-(substituted pyridy-oxymethyl)-phenylglyoxylate alkyloxime | BASF AKTIENGESELLSCHAFT (DE) | 1994-08-02 | — | — | US | disclosed |
| US-5326767-A | α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds | BASF AKTIENGESELLSCHAFT (DE) | 1994-07-05 | — | — | US | disclosed |
| US-5194438-A | Plant safe fungicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-03-16 | — | — | US | disclosed |