⚠ 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 SCHEMBL28455301 | 0.83 | — | — | |
| SCHEMBL22534495 | 0.80 | — | — | |
| SCHEMBL22117280 | 0.76 | OPRM1 (0.42) | — | |
| SCHEMBL25250852 | 0.76 | OPRM1 (0.42) | — | |
| SCHEMBL135621 | 0.75 | MEN1 (0.41) | — | |
| SCHEMBL28023685 | 0.74 | — | — | |
| SCHEMBL16072507 | 0.73 | — | — | |
| SCHEMBL26265915 | 0.73 | — | — | |
| SCHEMBL28182731 | 0.73 | MEN1 (0.36) | — | |
| SCHEMBL21838282 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3505655-B1 | INORGANIC SURFACE-TREATED GALVANIZED STEEL SHEET, PREPARATION METHOD THEREFOR, AND AQUEOUS INORGANIC SURFACE TREATMENT AGENT THEREOF | BAOSHAN IRON & STEEL (CN) | 2021-08-11 | — | — | EP | disclosed |
| EP-3505655-A1 | INORGANIC SURFACE-TREATED GALVANIZED STEEL SHEET, PREPARATION METHOD THEREFOR, AND AQUEOUS INORGANIC SURFACE TREATMENT AGENT THEREOF | Baoshan Iron & Steel Co., Ltd. (CN) | 2019-07-03 | — | — | EP | disclosed |
| EP-1086969-B1 | NOVEL POLYISOCYANATE AND METHOD FOR PRODUCING THE SAME | ASAHI CHEMICAL IND (JP) | 2009-08-12 | — | — | EP | disclosed |
| US-6469122-B1 | POLYISOCYANATE OBTAINED BY REACTING A DIISOCYANATE SELECTED FROM AN ALIPHATIC DIISOCYANATE AND AN ALICYCLIC DIISOCYANATE WITH A POLYOL HAVING A NUMBER AVERAGE MOLECULAR WEIGHT OF FROM 3,000 TO 30,000; CURABLE SEALANT | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2002-10-22 | — | — | US | disclosed |
| EP-1086969-A1 | NOVEL POLYISOCYANATE AND PROCESS FOR PRODUCING THE SAME | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 2001-03-28 | — | — | EP | disclosed |