⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9834881 | 0.75 | — | — | |
| SCHEMBL22044 | 0.75 | — | — | |
| SCHEMBL28331915 | 0.73 | — | — | |
| SCHEMBL891416 | 0.71 | — | — | |
| SCHEMBL1059263 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL11599054 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7501860 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL8207672 | 0.69 | — | — | |
| SCHEMBL29120955 | 0.68 | — | — | |
| Water SCHEMBL434753 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948482-B1 | METHOD FOR PRODUCING TRIFLUOROACETOACETIC ACID ANILIDES | BAYER AG (DE) | 2002-04-03 | — | — | EP | claimed |
| US-6136975-A | Method for producing trifluoroacetoacetic acid anilides | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-24 | — | — | US | claimed |
| WO-2023237027-A1 | COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF IN PREPARING BICYCLOPYRONE INTERMEDIATE | 山东潍坊润丰化工股份有限公司 | 2023-12-14 | — | — | WO | disclosed |
| CN-1100754-C | Preparation method of trifluoroacetylacetanilide | BAYER AG (DE) | 2003-02-05 | — | — | CN | disclosed |
| US-6136975-A | Method for producing trifluoroacetoacetic acid anilides | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-24 | — | — | US | disclosed |
| US-6136975-A | Method for producing trifluoroacetoacetic acid anilides | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-24 | — | — | US | disclosed |
| CN-1240423-A | Preparation method of trifluoroacetylacetanilide | BAYER AG (DE) | 2000-01-05 | — | — | CN | disclosed |
| WO-1995032952-A1 | PROCESS FOR THE PREPARATION OF 3-ARYLURACILS | CIBA-GEIGY AG (CH) | 1995-12-07 | — | — | WO | disclosed |