⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10409556 | 1.00 | — | — | |
| SCHEMBL10895739 | 1.00 | — | — | |
| SCHEMBL14811347 | 0.86 | CES1 (0.34) | — | |
| SCHEMBL14811348 | 0.86 | CES1 (0.34) | — | |
| SCHEMBL7948742 | 0.83 | — | — | |
| SCHEMBL7948744 | 0.83 | — | — | |
| SCHEMBL18937999 | 0.83 | — | — | |
| SCHEMBL14811101 | 0.82 | CES2 (0.38) | — | |
| SCHEMBL20960312 | 0.82 | CES2 (0.38) | — | |
| SCHEMBL14811100 | 0.82 | CES2 (0.38) | — |
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-0293752-A2 | Process for preparing E-2-propyl-2-pentenoic acid and its physiologically compatible salts | Desitin Arzneimittel GmbH (DE) | 1988-12-07 | — | — | EP | claimed |
| EP-0293752-A2 | Process for preparing E-2-propyl-2-pentenoic acid and its physiologically compatible salts | Desitin Arzneimittel GmbH (DE) | 1988-12-07 | — | — | EP | disclosed |
| EP-0135719-B1 | ALPHA-TERTIARY NITRILES, THEIR PREPARATION AND THEIR UTILIZATION AS AROMATIC COMPOUNDS | Consortium für elektrochemische Industrie GmbH (DE) | 1987-01-28 | — | — | EP | disclosed |
| US-4625046-A | Alpha-tertiary nitriles | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1986-11-25 | — | — | US | disclosed |
| EP-0135719-A1 | Alpha-tertiary nitriles, their preparation and their utilization as aromatic compounds | Consortium für elektrochemische Industrie GmbH (DE) | 1985-04-03 | — | — | EP | disclosed |