⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4155536 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22575437 | 0.97 | — | — | |
| SCHEMBL7023805 | 0.82 | — | — | |
| SCHEMBL31008624 | 0.81 | SIGMAR1 (0.37) | — | |
| SCHEMBL23519562 | 0.80 | ADH1B (0.50) | — | |
| SCHEMBL2401995 | 0.80 | ADH1B (0.50) | — | |
| SCHEMBL28412999 | 0.80 | SIGMAR1 (0.32) | — | |
| SCHEMBL8262545 | 0.79 | — | — | |
| SCHEMBL14980229 | 0.79 | SIGMAR1 (0.38) | — | |
| SCHEMBL3664048 | 0.79 | — | — |
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-7608445-B1 | Nitrilases, nucleic acids encoding them and methods for making and using them | VERENIUM CORPORATION (US) | 2009-10-27 | — | — | US | disclosed |