⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25845723 | 1.00 | — | — | |
| SCHEMBL16673218 | 0.74 | — | — | |
| SCHEMBL25152635 | 0.74 | — | — | |
| SCHEMBL25151915 | 0.74 | — | — | |
| SCHEMBL13186627 | 0.74 | — | — | |
| SCHEMBL25163 | 0.73 | — | — | |
| SCHEMBL12943155 | 0.73 | — | — | |
| Phosphine SCHEMBL27587535 | 0.73 | — | — | |
| SCHEMBL30460641 | 0.73 | — | — | |
| SCHEMBL10021534 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10414772-B2 | Pyrazolo[1,5-A]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use | IMPERIAL INNOVATIONS LIMITED (GB) | 2019-09-17 | — | — | US | disclosed |