⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL164729 | 0.71 | — | — | |
| SCHEMBL80196 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9733287 | 0.66 | — | — | |
| Hydrazine SCHEMBL604626 | 0.66 | — | — | |
| SCHEMBL3644519 | 0.66 | — | — | |
| SCHEMBL9350835 | 0.65 | — | — | |
| SCHEMBL7593787 | 0.63 | — | — | |
| Ethylene SCHEMBL6726646 | 0.63 | — | — | |
| Water SCHEMBL28223847 | 0.63 | — | — | |
| SCHEMBL28760527 | 0.60 | — | — |
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-5082598-A | Thermosetting unsaturated ester, thiuram compound, crosslinking agent, copper compound | NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) | 1992-01-21 | — | — | US | disclosed |
| US-4837280-A | ACRYLATE GROUP-CONTAINING POLYAROMATIC AMINE COMPOUNDS TO FORM THERMOSETTING RESINS; HEAT RESISTANCE | NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) | 1989-06-06 | — | — | US | disclosed |