⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10887724 | 0.96 | — | — | |
| Water SCHEMBL15367359 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL9816731 | 0.78 | — | — | |
| SCHEMBL1359866 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL11338128 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL9816722 | 0.78 | — | — | |
| SCHEMBL12002709 | 0.78 | — | — | |
| SCHEMBL1360057 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL6414666 | 0.73 | — | — | |
| Water SCHEMBL2594625 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61057674-A | — | — | None | — | — | JP | disclosed |
| US-5041654-A | Transamination in wallach reaction; controlling temperature; reactant amine concentration | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-08-20 | — | — | US | disclosed |
| EP-0431783-A1 | Preparation of monosubstituted dithiooxamide compounds | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-06-12 | — | — | EP | disclosed |
| US-4921317-A | NICKEL, COPPER, COBALT, PALLADIUM, AND PLATINUM COMPLEX NEUTRALIZED BY A PHOSPHONIUM ION | FUJI PHOTO FILM CO., LTD. (JP) | 1990-05-01 | — | — | US | disclosed |
| US-4763966-A | METAL COMPLEX CONTAINING TWO THIORATE BIDENTATE LIGANDS-OPTICAL FILTER | FUJI PHOTO FILM CO., LTD. (JP) | 1988-08-16 | — | — | US | disclosed |
| JP-S6157674-A | INFRARED-ABSORBING COMPOSITION | FUJI PHOTO FILM CO LTD | 1986-03-24 | — | — | JP | disclosed |