⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10027667 | 0.82 | — | — | |
| SCHEMBL159239 | 0.64 | — | — | |
| SCHEMBL15070044 | 0.58 | — | — | |
| SCHEMBL926802 | 0.58 | TAS1R3 (0.35) | — | |
| SCHEMBL1998603 | 0.58 | — | — | |
| SCHEMBL14985644 | 0.56 | — | — | |
| SCHEMBL20844187 | 0.56 | — | — | |
| Bromide SCHEMBL9813316 | 0.55 | TAS1R3 (0.33) | — | |
| SCHEMBL3043216 | 0.55 | — | — | |
| Bromide SCHEMBL9813323 | 0.55 | TAS1R3 (0.33) | — |
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-20120302720-A1 | Novel Polyazomethine | SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) | 2012-11-29 | — | — | US | disclosed |