⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8372951 | 0.72 | — | — | |
| SCHEMBL777911 | 0.72 | — | — | |
| SCHEMBL18876671 | 0.72 | — | — | |
| SCHEMBL14950389 | 0.69 | — | — | |
| Fluoride SCHEMBL778265 | 0.69 | — | — | |
| SCHEMBL3110432 | 0.69 | — | — | |
| SCHEMBL11897837 | 0.69 | — | — | |
| SCHEMBL12069898 | 0.67 | — | — | |
| Fluoride SCHEMBL776344 | 0.67 | — | — | |
| SCHEMBL779447 | 0.67 | CA2 (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 8 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-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-20220162193-A1 | PYRAZOLESULFONAMIDES AS ANTITUMOR AGENTS | PELOTON THERAPEUTICS, INC. (US) | 2022-05-26 | — | — | US | disclosed |
| WO-2021236650-A1 | CYCLIN-DEPENDENT KINASE INHIBITING COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS | G1 THERAPEUTICS, INC. (US) | 2021-11-25 | — | — | WO | disclosed |
| US-8106035-B2 | 25-SO2-substituted analogs of 1μ,25-dihydroxyvitamin D3 | CYTOCHROMA INC. (CA) | 2012-01-31 | — | — | US | disclosed |
| US-8106035-B2 | 25-SO2-substituted analogs of 1μ,25-dihydroxyvitamin D3 | CYTOCHROMA INC. (CA) | 2012-01-31 | — | — | US | disclosed |
| US-20040224930-A1 | 25-SO2-Substituted analogs of 1mu,25-dihydroxyvitamin D3 | Opko IP Holdings II, Inc. (KY) | 2004-11-11 | — | — | US | disclosed |
| WO-2004054968-A2 | 25-SO2-SUBSTITUTED ANALOGS OF 1ALPHA, 25-DIHYDROXYVITAMIN D3 (CALCITRIOL) | JOHNS HOPKINS UNIVERSITY (US) | 2004-07-01 | — | — | WO | disclosed |