⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4025607 | 1.00 | — | — | |
| SCHEMBL9834070 | 0.86 | — | — | |
| SCHEMBL12681714 | 0.83 | KMT2A (0.33) | — | |
| SCHEMBL8662458 | 0.82 | — | — | |
| SCHEMBL19474284 | 0.78 | — | — | |
| SCHEMBL3647422 | 0.76 | — | — | |
| SCHEMBL6797745 | 0.76 | — | — | |
| SCHEMBL14037801 | 0.74 | HSD17B10 (0.38) | — | |
| SCHEMBL2166883 | 0.73 | — | — | |
| SCHEMBL15355111 | 0.73 | NPSR1 (0.40) | — |
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-6429282-B1 | MIXING PRIMARY AND SECONDARY AMINES WITH EMERALDINE BASE POLYANILINE; STORAGE STABILITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-08-06 | — | — | US | claimed |