⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11527928 | 0.97 | CTSB (0.35) | — | |
| SCHEMBL11537077 | 0.78 | CTSS (0.36) | — | |
| SCHEMBL11087856 | 0.78 | GNAI3 (0.46) | — | |
| SCHEMBL8310943 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL8309961 | 0.75 | — | — | |
| Water SCHEMBL28816146 | 0.72 | — | — | |
| SCHEMBL7742809 | 0.72 | L3MBTL1 (0.31) | — | |
| Water SCHEMBL28006863 | 0.70 | — | — | |
| SCHEMBL906315 | 0.69 | — | — | |
| Water SCHEMBL27995849 | 0.68 | GNAI3 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4134889-A | Manufacture of glycinonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1979-01-16 | — | — | US | disclosed |