⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10977065 | 0.82 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL2862400 | 0.77 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL2858771 | 0.77 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL9510179 | 0.77 | MAPT (0.33) | — | |
| SCHEMBL10978113 | 0.77 | CYP2D6 (0.41) | — | |
| SCHEMBL7033466 | 0.77 | CYP1A2 (0.35) | — | |
| SCHEMBL11601127 | 0.76 | CYP2C19 (0.36) | — | |
| SCHEMBL4303900 | 0.75 | — | — | |
| SCHEMBL1268153 | 0.75 | — | — | |
| SCHEMBL28356540 | 0.75 | — | — |
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-4523012-A | INTERMEDIATES FOR PRODUCTION OF D,L-CYSTEINE AND DERIVATIVES | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1985-06-11 | — | — | US | disclosed |