⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17117691 | 1.00 | — | — | |
| SCHEMBL16281541 | 0.80 | — | — | |
| SCHEMBL27918071 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL29073021 | 0.77 | — | — | |
| SCHEMBL17159670 | 0.76 | — | — | |
| SCHEMBL6711665 | 0.76 | — | — | |
| SCHEMBL7514673 | 0.75 | — | — | |
| SCHEMBL29021877 | 0.73 | — | — | |
| SCHEMBL1226117 | 0.72 | CES2 (0.35) | — | |
| SCHEMBL11256382 | 0.72 | TSHR (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0504628-A2 | Process for treating tertiary amines | ETHYL CORPORATION (US) | 1992-09-23 | — | — | EP | claimed |
| US-5103052-A | Tertiary amine treatment | ETHYL CORPORATION (US) | 1992-04-07 | — | — | US | claimed |
| EP-0504628-A2 | Process for treating tertiary amines | ETHYL CORPORATION (US) | 1992-09-23 | — | — | EP | disclosed |
| EP-0504628-A2 | Process for treating tertiary amines | ETHYL CORPORATION (US) | 1992-09-23 | — | — | EP | disclosed |
| US-5103052-A | Tertiary amine treatment | ETHYL CORPORATION (US) | 1992-04-07 | — | — | US | disclosed |
| US-5103052-A | Tertiary amine treatment | ETHYL CORPORATION (US) | 1992-04-07 | — | — | US | disclosed |