⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2583430 | 0.99 | — | — | |
| SCHEMBL2806627 | 0.87 | KCNK9 (0.31) | — | |
| SCHEMBL2804676 | 0.87 | NPC1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2586210 | 0.86 | KCNK9 (0.30) | — | |
| SCHEMBL17818114 | 0.86 | — | — | |
| SCHEMBL6469893 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL675357 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL2587277 | 0.85 | — | — | |
| SCHEMBL3269710 | 0.84 | — | — | |
| SCHEMBL5152998 | 0.81 | BCHE (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2196483-B1 | POLYPROPYLENE RESIN FOR SYRINGE, SYRINGE OBTAINED BY USING THE SAME AS RAW MATERIAL, AND PRE-FILLED SYRINGE PREPARATION | MITSUI CHEMICALS INC (JP) | 2012-10-24 | — | — | EP | disclosed |
| EP-2196483-A1 | POLYPROPYLENE RESIN FOR SYRINGE, SYRINGE OBTAINED BY USING THE SAME AS RAW MATERIAL, AND PRE-FILLED SYRINGE PREPARATION | Mitsui Chemicals, Inc. (JP) | 2010-06-16 | — | — | EP | disclosed |