⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL6644104 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL17838216 | 0.97 | — | — | |
| SCHEMBL13614111 | 0.77 | HDAC8 (0.61) | — | |
| Iodide SCHEMBL18321451 | 0.74 | HDAC8 (0.56) | — | |
| Paraquat SCHEMBL4895671 | 0.72 | SLC6A4 (0.77) | — | |
| Paraquat SCHEMBL8677067 | 0.69 | SLC6A4 (0.72) | — | |
| Paraquat SCHEMBL9650240 | 0.69 | SLC6A4 (0.72) | — | |
| SCHEMBL80079 | 0.69 | — | — | |
| Paraquat SCHEMBL22370108 | 0.69 | SLC6A4 (0.72) | — | |
| Paraquat SCHEMBL11281521 | 0.69 | SLC6A4 (0.72) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3024833-B1 | NOVEL INDOLIZINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SERVIER LAB (FR) | 2017-09-06 | — | — | EP | disclosed |
| US-8895652-B2 | High refractive index materials and composites | AJJER, LLC (US) | 2014-11-25 | — | — | US | disclosed |
| US-20100044640-A1 | High refractive index materials and composites | AJJER LLC (US) | 2010-02-25 | — | — | US | disclosed |
| US-20080311380-A1 | High refractive index materials and composites thereof | AJJER LLC (US) | 2008-12-18 | — | — | US | disclosed |