⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10686528 | 0.64 | — | — | |
| SCHEMBL12044957 | 0.58 | — | — | |
| SCHEMBL12060164 | 0.56 | — | — | |
| SCHEMBL24200954 | 0.55 | — | — | |
| SCHEMBL23893854 | 0.54 | — | — | |
| SCHEMBL17035444 | 0.51 | — | — | |
| SCHEMBL10296550 | 0.50 | — | — | |
| SCHEMBL24162597 | 0.49 | — | — | |
| SCHEMBL12091405 | 0.48 | — | — | |
| SCHEMBL380648 | 0.46 | — | — |
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-11643416-B2 | Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors | G1 THERAPEUTICS, INC. (US) | 2023-05-09 | — | — | US | disclosed |
| US-20220153711-A1 | P14-Kinase Inhibitors and Methods of Using the Same | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2022-05-19 | — | — | US | disclosed |
| US-20180134693-A1 | COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2018-05-17 | — | — | US | disclosed |