⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8930162 | 0.81 | — | — | |
| SCHEMBL10661190 | 0.65 | — | — | |
| SCHEMBL11697001 | 0.64 | CTNNB1 (0.31) | — | |
| SCHEMBL8930176 | 0.62 | MAPK1 (0.35) | — | |
| SCHEMBL3967541 | 0.61 | MAPK1 (0.51) | — | |
| SCHEMBL12796492 | 0.61 | — | — | |
| SCHEMBL27883795 | 0.58 | — | — | |
| SCHEMBL9359989 | 0.58 | — | — | |
| SCHEMBL8556890 | 0.55 | — | — | |
| SCHEMBL12463565 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5693827-A | Treatment of HIV infections and compounds useful therein | UNIROYAL CHEMICAL COMPANY, INC. | 1997-12-02 | — | — | US | disclosed |
| EP-0497816-B1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN | UNIROYAL CHEMICAL LTD (CA) | 1995-05-17 | — | — | EP | disclosed |
| US-5268389-A | Containing a benzene ring | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1993-12-07 | — | — | US | disclosed |
| EP-0497816-A1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. | UNIROYAL CHEMICAL LTD (CA) | 1992-08-12 | — | — | EP | disclosed |
| WO-1991005761-A1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN | UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) | 1991-05-02 | — | — | WO | disclosed |
| CN-1051036-A | The treatment of HIV (human immunodeficiency virus) infections and in treatment used compound | UNIROYAL CHEM CO INC (US) | 1991-05-01 | — | — | CN | disclosed |