⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13456134 | 0.80 | POLB (0.33) | — | |
| SCHEMBL10837351 | 0.76 | CA12 (0.44) | — | |
| SCHEMBL8141811 | 0.76 | MEN1 (0.39) | — | |
| SCHEMBL299317 | 0.75 | MAPT (0.39) | — | |
| SCHEMBL9620079 | 0.74 | PARP1 (0.43) | — | |
| SCHEMBL7243839 | 0.73 | GRM4 (0.31) | — | |
| SCHEMBL11886177 | 0.72 | NR4A2 (0.35) | — | |
| SCHEMBL285178 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL31388185 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL284553 | 0.69 | GABRA1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539719-B1 | BENZOTRIAZOL-1-YLAMINO-ACETONITRILE COMPOUNDS AND THE USE THEREOF IN PEST CONTROL | NOVARTIS AG (CH) | 2007-08-15 | — | — | EP | disclosed |
| US-7084280-B2 | Benzotriazol-1-yl-aminoacetonitrile compounds and their use in the control of parasite disease | NOVARTIS ANIMAL HEALTH US, INC. | 2006-08-01 | — | — | US | disclosed |
| US-20050272935-A1 | Organic compounds | NOVARTIS ANIMAL HEALTH US, INC. | 2005-12-08 | — | — | US | disclosed |
| EP-1539719-A1 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004024704-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2004-03-25 | — | — | WO | disclosed |