⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13400 | 0.97 | — | — | |
| SCHEMBL1024659 | 0.93 | NCF1 (0.43) | — | |
| SCHEMBL22228553 | 0.93 | NCF1 (0.43) | — | |
| SCHEMBL7571767 | 0.93 | NCF1 (0.43) | — | |
| Iodide SCHEMBL30309837 | 0.93 | — | — | |
| SCHEMBL23742267 | 0.93 | NCF1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL28935946 | 0.93 | — | — | |
| Butane SCHEMBL22609078 | 0.85 | NCF1 (0.44) | — | |
| SCHEMBL10173819 | 0.85 | — | — | |
| SCHEMBL12449629 | 0.85 | — | — |
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-20130028843-A1 | KALLIKREIN 7 MODULATORS | NOVARTIS AG (CH) | 2013-01-31 | — | — | US | disclosed |
| US-8309596-B2 | Kallikrein 7 modulators | NOVARTIS AG (CH) | 2012-11-13 | — | — | US | disclosed |
| US-20100256144-A1 | Kallikrein 7 modulators | NOVARTIS AG (CH) | 2010-10-07 | — | — | US | disclosed |
| US-7754919-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2010-07-13 | — | — | US | disclosed |
| EP-2170939-A1 | KALLIKREIN 7 MODULATORS | Novartis Ag (CH) | 2010-04-07 | — | — | EP | disclosed |
| EP-1940782-B1 | N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | EP | disclosed |
| WO-2009000878-A1 | KALLIKREIN 7 MODULATORS | NOVARTIS AG (CH) | 2008-12-31 | — | — | WO | disclosed |
| US-20070088015-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2007-04-19 | — | — | US | disclosed |