⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10364430 | 1.00 | — | — | |
| SCHEMBL8320622 | 0.94 | — | — | |
| SCHEMBL2122718 | 0.94 | — | — | |
| SCHEMBL118916 | 0.94 | — | — | |
| SCHEMBL2120877 | 0.94 | — | — | |
| Hydrazine SCHEMBL27822364 | 0.91 | — | — | |
| Acetaldehyde SCHEMBL7982165 | 0.88 | — | — | |
| 2-(Nitromethylene)Thiazolidine SCHEMBL1871570 | 0.86 | — | — | |
| 2-(Nitromethylene)Thiazolidine SCHEMBL10363912 | 0.86 | — | — | |
| 2-(Nitromethylene)Thiazolidine SCHEMBL1871573 | 0.86 | — | — |
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-0115323-B1 | PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND HAVING NITROMETHYLENE GROUP AS THE SIDE CHAIN GROUP | UBE INDUSTRIES, LTD. (JP) | 1990-08-29 | — | — | EP | disclosed |
| US-4665172-A | Process for producing heterocyclic compound having nitromethylene group as the side chain group | UBE INDUSTRIES, LTD. (JP) | 1987-05-12 | — | — | US | disclosed |
| US-4625025-A | Process for producing a 2H-1,3-thiazolidine, 2H-tetrahydro-1,3-thiazine, or 2H-hexahydro-1,3-thiazepine derivative substituted at the 2 position by a nitromethylene group derivative | UBE INDUSTRIES, LTD. (JP) | 1986-11-25 | — | — | US | disclosed |
| EP-0135803-A2 | Process for producing heterocyclic compounds having nitromethylene group as the side chain group | UBE INDUSTRIES, LTD. (JP) | 1985-04-03 | — | — | EP | disclosed |
| EP-0115323-A2 | Process for producing heterocyclic compound having nitromethylene group as the side chain group | UBE INDUSTRIES, LTD. (JP) | 1984-08-08 | — | — | EP | disclosed |