⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1068156 | 0.97 | LMNA (0.38) | — | |
| SCHEMBL11019429 | 0.97 | LMNA (0.38) | — | |
| SCHEMBL526694 | 0.97 | LMNA (0.38) | — | |
| SCHEMBL9325398 | 0.93 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL8674591 | 0.90 | LMNA (0.42) | — | |
| SCHEMBL735965 | 0.90 | — | — | |
| SCHEMBL5915230 | 0.90 | LMNA (0.42) | — | |
| SCHEMBL8672525 | 0.90 | LMNA (0.42) | — | |
| SCHEMBL8668611 | 0.90 | LMNA (0.42) | — | |
| SCHEMBL8672573 | 0.90 | SMN1; SMN2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1311469-A1 | METHOD FOR PRODUCING BETA- KETOENOL ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002016305-A1 | METHOD FOR PRODUCING β KETOENOL ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-28 | — | — | WO | disclosed |
| US-5843631-A | Silver halide photographic material | FUJI PHOTO FILM CO., LTD. (JP) | 1998-12-01 | — | — | US | disclosed |
| EP-0000889-A1 | 3\"-N-Demethyl-3\"-N-substituted-4,6-di-0-(aminoglycosyl)-1,3-diaminocyclitols, methods for their preparation and their application as antibiotics | BAYER AG (DE) | 1979-03-07 | — | — | EP | disclosed |