⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL610721 | 0.96 | — | — | |
| Ethylene SCHEMBL15005585 | 0.93 | — | — | |
| SCHEMBL3474302 | 0.81 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL3474303 | 0.81 | — | — | |
| SCHEMBL859389 | 0.79 | — | — | |
| SCHEMBL9008981 | 0.79 | — | — | |
| SCHEMBL8744936 | 0.79 | — | — | |
| SCHEMBL8741717 | 0.76 | — | — | |
| SCHEMBL166391 | 0.76 | — | — | |
| Ethylene Glycol SCHEMBL4563857 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100221241-A1 | CONSTRAINED HIV ENVELOPE-BASED IMMUNOGEN THAT SIMULTANEOUSLY PRESENTS RECEPTOR AND CORECEPTOR BINDING SITES | UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) | 2010-09-02 | — | — | US | disclosed |
| WO-2007005934-A2 | CONSTRAINED HIV ENVELOPE-BASED IMMUNOGEN THAT SIMULTANEOUSLY PRESENTS RECEPTOR AND CORECEPTOR BINDING SITES | UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) | 2007-01-11 | — | — | WO | disclosed |