⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14924380 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30825142 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1922219 | 0.97 | — | — | |
| SCHEMBL16587891 | 0.80 | CCR5 (0.35) | — | |
| SCHEMBL15976425 | 0.80 | LMNA (0.35) | — | |
| SCHEMBL16627434 | 0.78 | — | — | |
| SCHEMBL15034397 | 0.78 | — | — | |
| SCHEMBL24615760 | 0.76 | — | — | |
| SCHEMBL272039 | 0.75 | — | — | |
| SCHEMBL14410723 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9309252-B2 | Pyrrolopyrimidine compounds as inhibitors of CDK4/6 | NOVARTIS AG (CH) | 2016-04-12 | — | — | US | disclosed |
| US-20150099737-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2015-04-09 | — | — | US | disclosed |