⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9074452 | 0.68 | — | — | |
| SCHEMBL2522118 | 0.64 | — | — | |
| SCHEMBL10874454 | 0.62 | — | — | |
| SCHEMBL4900682 | 0.61 | — | — | |
| SCHEMBL29241027 | 0.60 | CYP3A4 (0.31) | — | |
| SCHEMBL2567856 | 0.58 | TSHR (0.30) | — | |
| SCHEMBL20528323 | 0.57 | — | — | |
| SCHEMBL5188428 | 0.56 | — | — | |
| SCHEMBL4146029 | 0.55 | — | — | |
| SCHEMBL1433404 | 0.55 | — | — |
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-0174724-B1 | MICROENCAPSULATION OF POLYISOCYANATES BY INTERCHANGE OF EMULSIONS | MOORE BUSINESS FORMS, INC. (US) | 1991-06-19 | — | — | EP | disclosed |
| US-4599271-A | FORMING POLYMERIC WALLS AROUND ORGANIC DROPLETS | MOORE BUSINESS FORMS, INC. (US) | 1986-07-08 | — | — | US | disclosed |
| EP-0174724-A2 | Microencapsulation of polyisocyanates by interchange of emulsions | MOORE BUSINESS FORMS, INC. (US) | 1986-03-19 | — | — | EP | disclosed |