⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3111875 | 1.00 | — | — | |
| SCHEMBL31588249 | 0.86 | — | — | |
| Thiophene SCHEMBL28054110 | 0.85 | ARG1 (0.37) | — | |
| SCHEMBL1923397 | 0.83 | — | — | |
| SCHEMBL3146213 | 0.79 | ARG2 (0.45) | — | |
| SCHEMBL10508109 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL691126 | 0.79 | — | — | |
| SCHEMBL10508105 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL3146220 | 0.79 | ARG2 (0.45) | — | |
| SCHEMBL11090314 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10954537-B2 | Amino acids bearing a norbornene moiety | VALANX BIOTECH GMBH (AT) | 2021-03-23 | — | — | US | disclosed |
| US-20200157586-A1 | NOVEL AMINO ACIDS BEARING A NORBORNENE MOIETY | TECHNISCHE UNIVERSITÄT GRAZ (AT) | 2020-05-21 | — | — | US | disclosed |