⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL158448 | 1.00 | — | — | |
| SCHEMBL6460798 | 1.00 | — | — | |
| SCHEMBL10512546 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1131647 | 0.97 | — | — | |
| SCHEMBL27862030 | 0.83 | TDP1 (0.37) | — | |
| 3-Methylbutanoic Acid SCHEMBL28306793 | 0.79 | TDP1 (0.48) | — | |
| SCHEMBL74287 | 0.78 | LDHA (0.38) | — | |
| SCHEMBL1132517 | 0.78 | CACNA2D1 (0.40) | — | |
| SCHEMBL7247230 | 0.78 | CYP2C19 (0.42) | — | |
| SCHEMBL1165443 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |
| US-4874544-A | Ferroelectric liquid crystals | VEB WERK FUER FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) | 1989-10-17 | — | — | US | disclosed |