⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14418482 | 0.69 | — | — | |
| SCHEMBL359904 | 0.66 | — | — | |
| SCHEMBL19965028 | 0.65 | — | — | |
| SCHEMBL10044111 | 0.61 | — | — | |
| SCHEMBL24603673 | 0.59 | SIGMAR1 (0.58) | — | |
| SCHEMBL29327972 | 0.58 | TP53 (0.42) | — | |
| SCHEMBL28973797 | 0.57 | SLC6A2 (0.61) | — | |
| SCHEMBL168193 | 0.55 | — | — | |
| SCHEMBL1145847 | 0.53 | — | — | |
| SCHEMBL15899362 | 0.52 | — | — |
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-7622093-B2 | Method for zonal injection of chemicals into a furnace convective pass to reduce pollutants from flue gases | DOOSAN BABCOCK ENERGY AMERICA LLC (US) | 2009-11-24 | — | — | US | disclosed |
| US-20090047199-A1 | Method for Zonal Injection of Chemicals into a Furnace Convective Pass to Reduce Pollutants from Flue Gases | ARROL STUART | 2009-02-19 | — | — | US | disclosed |