⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14928381 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9433714 | 0.98 | TAAR1 (0.48) | — | |
| SCHEMBL7874405 | 0.80 | — | — | |
| SCHEMBL5878351 | 0.79 | GRIA4 (0.57) | — | |
| SCHEMBL26662175 | 0.78 | — | — | |
| SCHEMBL14928671 | 0.78 | — | — | |
| SCHEMBL8428133 | 0.78 | — | — | |
| SCHEMBL1687703 | 0.77 | ALOX5 (0.40) | — | |
| SCHEMBL4704141 | 0.76 | — | — | |
| SCHEMBL2992960 | 0.75 | ALOX5 (0.39) | — |
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-5310941-A | Antiarrythmia agents | ORTHO PHARMACEUTICAL CORPORATION (US) | 1994-05-10 | — | — | US | disclosed |
| US-5208252-A | Antiarrhythmia | ORTHO PHARMACEUTICAL CORPORATION (US) | 1993-05-04 | — | — | US | disclosed |