⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19468663 | 0.89 | — | — | |
| SCHEMBL20399990 | 0.81 | MAN2B1 (0.39) | — | |
| SCHEMBL27816064 | 0.81 | SLC18A3 (0.41) | — | |
| SCHEMBL5398154 | 0.81 | SLC18A3 (0.41) | — | |
| SCHEMBL7328433 | 0.77 | SLC18A3 (0.38) | — | |
| SCHEMBL1404038 | 0.67 | SLC18A3 (0.44) | — | |
| SCHEMBL2801018 | 0.65 | SLC18A3 (0.38) | — | |
| SCHEMBL3391750 | 0.65 | SLC18A3 (0.38) | — | |
| SCHEMBL1404005 | 0.65 | SLC18A3 (0.38) | — | |
| SCHEMBL6519582 | 0.65 | SLC18A3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2536730-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | Novartis AG (CH) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |
| US-20080221155-A1 | 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis | ALMIRALL PRODESFARMA, S.A. (ES) | 2008-09-11 | — | — | US | disclosed |