⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27671 | 1.00 | — | — | |
| Iodide SCHEMBL8056908 | 0.93 | — | — | |
| Charcoal, Activated SCHEMBL6404245 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28888282 | 0.93 | — | — | |
| SCHEMBL22442403 | 0.93 | — | — | |
| Bromide SCHEMBL8055331 | 0.93 | — | — | |
| SCHEMBL9275448 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL6414032 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL26913 | 0.93 | — | — | |
| SCHEMBL29104739 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0554767-B1 | Process for the preparation of E-oximethers from phenylglyoxylic acid esters | BASF AG (DE) | 1996-06-19 | — | — | EP | disclosed |
| US-5510528-A | Preparation of halomethylbenzoly cyanides and novel halomethylbenzoyl cyanides | BASF AKTIENGESELLSCHAFT (DE) | 1996-04-23 | — | — | US | disclosed |
| US-5446199-A | Preparation of halomethylbenzoyl cyanides and novel halomethylbenzoyl cyanides | BASF AKTIENGESELLSCHAFT (DE) | 1995-08-29 | — | — | US | disclosed |
| EP-0554767-A1 | Process for the preparation of E-oximethers from phenylglyoxylic acid esters | BASF Aktiengesellschaft (DE) | 1993-08-11 | — | — | EP | disclosed |