⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL430219 | 0.85 | CFTR (0.33) | — | |
| SCHEMBL424862 | 0.81 | SRD5A1 (0.33) | — | |
| SCHEMBL425963 | 0.76 | BRS3 (0.35) | — | |
| SCHEMBL428558 | 0.76 | MAPKAPK2 (0.49) | — | |
| SCHEMBL427831 | 0.73 | — | — | |
| SCHEMBL425979 | 0.71 | MPL (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL6794899 | 0.69 | CDK2 (0.39) | — | |
| SCHEMBL424761 | 0.67 | EPHX1 (0.30) | — | |
| SCHEMBL6793109 | 0.65 | STK17B (0.38) | — | |
| SCHEMBL426798 | 0.63 | CFTR (0.33) | — |
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-20120022030-A1 | Tetracyclic Lactame Derivatives | NOVARTIS AG | 2012-01-26 | — | — | US | disclosed |
| US-7838674-B2 | 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 | NOVARTIS AG (CH) | 2010-11-23 | — | — | US | disclosed |
| US-20090098218-A1 | Tetracyclic Lactame Derivatives | NOVARTIS AG | 2009-04-16 | — | — | US | disclosed |