⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16104534 | 0.81 | — | — | |
| SCHEMBL8556729 | 0.81 | — | — | |
| SCHEMBL9460372 | 0.81 | — | — | |
| SCHEMBL16372553 | 0.79 | AKR1B1 (0.39) | — | |
| SCHEMBL6395468 | 0.78 | ADH1B (0.41) | — | |
| SCHEMBL15870345 | 0.76 | EPHX1 (0.43) | — | |
| SCHEMBL15046134 | 0.75 | — | — | |
| SCHEMBL19168537 | 0.75 | — | — | |
| SCHEMBL11104984 | 0.75 | — | — | |
| SCHEMBL8781967 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5189221-A | Amine separation process | TEXACO CHEMICAL COMPANY (US) | 1993-02-23 | — | — | US | claimed |
| US-4529822-A | Process for the preparation of formamide compounds | TEXACO, INC. (US) | 1985-07-16 | — | — | US | claimed |
| US-5189221-A | Amine separation process | TEXACO CHEMICAL COMPANY (US) | 1993-02-23 | — | — | US | disclosed |
| US-5189221-A | Amine separation process | TEXACO CHEMICAL COMPANY (US) | 1993-02-23 | — | — | US | disclosed |
| US-4529822-A | Process for the preparation of formamide compounds | TEXACO, INC. (US) | 1985-07-16 | — | — | US | disclosed |
| US-4510326-A | Process for the preparation of formylalkanolamines | TEXACO INC. (US) | 1985-04-09 | — | — | US | disclosed |