⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL27800207 | 1.00 | — | — | |
| SCHEMBL700970 | 0.94 | — | — | |
| SCHEMBL4378441 | 0.89 | — | — | |
| Methane SCHEMBL28242565 | 0.89 | — | — | |
| SCHEMBL28145954 | 0.89 | — | — | |
| SCHEMBL1199442 | 0.89 | — | — | |
| SCHEMBL5070336 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL497287 | 0.89 | — | — | |
| Methane SCHEMBL27487048 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28285522 | 0.84 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105712986-B | Metal complex with organic ligand and its purposes in OLED | 默克专利有限公司 | 2019-01-01 | — | — | CN | disclosed |
| CN-104520308-B | Metal complex | 默克专利有限公司 | 2018-09-28 | — | — | CN | disclosed |
| EP-1163202-A1 | PROCESS FOR THE CARBONYLATION OF CONJUGATED DIENES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000056695-A1 | PROCESS FOR THE CARBONYLATION OF CONJUGATED DIENES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2000-09-28 | — | — | WO | disclosed |