⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3808041 | 0.80 | CES2 (0.59) | — | |
| SCHEMBL15809511 | 0.80 | CES2 (0.59) | — | |
| SCHEMBL26097366 | 0.79 | CES2 (0.57) | — | |
| SCHEMBL131047 | 0.78 | — | — | |
| SCHEMBL28340228 | 0.77 | CES2 (0.47) | — | |
| SCHEMBL14860085 | 0.77 | — | — | |
| SCHEMBL3627478 | 0.77 | — | — | |
| SCHEMBL128163 | 0.76 | — | — | |
| SCHEMBL27833979 | 0.76 | — | — | |
| SCHEMBL28471676 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991011418-A1 | PARTIALLY FLUORINATED COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-08-08 | — | — | WO | disclosed |
| EP-0291853-A2 | Thienon compounds | BASF Aktiengesellschaft (DE) | 1988-11-23 | — | — | EP | disclosed |
| US-4650870-A | AUTOMOBILE PAINTS | CIBA-GEIGY CORPORATION (US) | 1987-03-17 | — | — | US | disclosed |