⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL3710796 | 1.00 | — | — | |
| Ethylene SCHEMBL27577658 | 0.94 | — | — | |
| Formaldehyde SCHEMBL7551181 | 0.88 | — | — | |
| SCHEMBL50123 | 0.87 | — | — | |
| SCHEMBL17004026 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11274092 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL3362939 | 0.80 | — | — | |
| SCHEMBL3359476 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL11409106 | 0.80 | — | — | |
| SCHEMBL29110032 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991000854-A1 | N,N'-DICARBOXYMETHYL, N,N'-DIAMINOCARBONYLMETHYL-DIAMINOALKANE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-01-24 | — | — | WO | disclosed |
| EP-0389491-A1 | RECHARGEABLE BATTERY CATHODE FROM P2-PHASE SODIUM COBALT DIOXIDE | AlliedSignal Inc. (US) | 1990-10-03 | — | — | EP | disclosed |
| WO-1989004066-A1 | RECHARGEABLE BATTERY CATHODE FROM P2-PHASE SODIUM COBALT DIOXIDE | ALLIED-SIGNAL INC. (US) | 1989-05-05 | — | — | WO | disclosed |