⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2310297 | 0.77 | — | — | |
| SCHEMBL6729255 | 0.73 | — | — | |
| SCHEMBL271317 | 0.71 | — | — | |
| SCHEMBL270999 | 0.67 | — | — | |
| SCHEMBL8763917 | 0.67 | — | — | |
| SCHEMBL14424489 | 0.64 | — | — | |
| SCHEMBL277067 | 0.63 | TSHR (0.43) | — | |
| SCHEMBL17690701 | 0.63 | — | — | |
| SCHEMBL1678167 | 0.60 | — | — | |
| SCHEMBL19020934 | 0.60 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987008-A2 | HETEROAROYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2008-11-05 | — | — | EP | disclosed |
| EP-1987015-A2 | BENZOYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2008-11-05 | — | — | EP | disclosed |
| WO-2008084070-A1 | BENZOYL-SUBSTITUTED SERINE AMIDES | BASF SE (DE) | 2008-07-17 | — | — | WO | disclosed |
| EP-1888509-A1 | BENZOYL-SUBSTITUTED SERINE AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2008-02-20 | — | — | EP | disclosed |
| WO-2007093529-A2 | HETEROAROYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2007-08-23 | — | — | WO | disclosed |
| WO-2007093539-A2 | BENZOYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2007-08-23 | — | — | WO | disclosed |
| WO-2006125688-A1 | BENZOYL-SUBSTITUTED SERINE AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2006-11-30 | — | — | WO | disclosed |