⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1726887 | 0.83 | — | — | |
| Bromide SCHEMBL9420408 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL9419357 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL235393 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8847315 | 0.79 | — | — | |
| Bromide SCHEMBL302868 | 0.79 | — | — | |
| Bromide SCHEMBL9420422 | 0.79 | — | — | |
| SCHEMBL29364932 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL7876805 | 0.79 | — | — | |
| SCHEMBL11478662 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0003300-B1 | CATALYST,ITS PREPARATION AND ITS USE IN THE POLYMERIZATION OF BUTADIENE | BAYER AG (DE) | 1980-09-17 | — | — | EP | claimed |
| US-4216121-A | TITANIUM IODIDES-ALKYL ALUMINUM-ALKOXY, CYCLOALKOXY OR PHENOXY TITANIUM TRICHLORIDE REACTION PRODUCT | BAYER AKTIENGESELLSCHAFT (DE) | 1980-08-05 | — | — | US | claimed |
| US-4216121-A | TITANIUM IODIDES-ALKYL ALUMINUM-ALKOXY, CYCLOALKOXY OR PHENOXY TITANIUM TRICHLORIDE REACTION PRODUCT | BAYER AKTIENGESELLSCHAFT (DE) | 1980-08-05 | — | — | US | disclosed |