⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL910457 | 0.71 | NR3C2 (0.38) | — | |
| SCHEMBL943239 | 0.64 | ABCG2 (0.33) | — | |
| SCHEMBL18062566 | 0.63 | — | — | |
| SCHEMBL909942 | 0.63 | ITGB2 (0.32) | — | |
| SCHEMBL18062965 | 0.58 | — | — | |
| SCHEMBL27776989 | 0.54 | — | — | |
| SCHEMBL28112017 | 0.54 | — | — | |
| SCHEMBL28112019 | 0.54 | — | — | |
| SCHEMBL16414615 | 0.52 | — | — | |
| SCHEMBL4453498 | 0.49 | TYMP (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160272617-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-09-22 | — | — | US | disclosed |
| EP-3049390-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | Bayer Pharma Aktiengesellschaft (DE) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015044163-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-04-02 | — | — | WO | disclosed |