⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8751242 | 0.74 | — | — | |
| SCHEMBL241831 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL3777302 | 0.65 | — | — | |
| SCHEMBL5639429 | 0.65 | — | — | |
| SCHEMBL7403339 | 0.65 | — | — | |
| SCHEMBL23136273 | 0.64 | — | — | |
| SCHEMBL5984701 | 0.64 | — | — | |
| SCHEMBL779251 | 0.64 | — | — | |
| SCHEMBL241511 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL7771174 | 0.60 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070032522-A1 | Antiviral agents | VIROBAY, INC. | 2007-02-08 | — | — | US | disclosed |
| WO-2007005779-A2 | ANTIVIRAL AGENTS | VIROBAY, INC. (US) | 2007-01-11 | — | — | WO | disclosed |
| EP-0915914-A1 | METHOD AND COMPOSITION FOR INCORPORATING RADIATION-ABSORBING AGENTS INTO POLYMERS | Novartis AG (CH) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998005690-A1 | METHOD AND COMPOSITION FOR INCORPORATING RADIATION-ABSORBING AGENTS INTO POLYMERS | NOVARTIS AG (CH) | 1998-02-12 | — | — | WO | disclosed |
| EP-0564583-A4 | — | ALLERGAN INC (US) | 1994-01-19 | — | — | EP | disclosed |
| EP-0564583-A1 | METHOD FOR TINTING A HYDROPHILIC POLYMER. | ALLERGAN INC (US) | 1993-10-13 | — | — | EP | disclosed |
| WO-1992011407-A1 | METHOD FOR TINTING A HYDROPHILIC POLYMER | ALLERGAN, INC. (US) | 1992-07-09 | — | — | WO | disclosed |
| US-3990846-A | DYEING POLYAMIDE-CELLULOSE BLENDS; MASKING WITH N-ALKYL-AMINOALKYLSULFONIC ACID ALKALI METAL SALTS | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-11-09 | — | — | US | disclosed |