⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8061118 | 0.82 | TDP1 (0.43) | — | |
| SCHEMBL19636725 | 0.82 | SLC22A6 (0.39) | — | |
| SCHEMBL20006676 | 0.82 | — | — | |
| SCHEMBL11136905 | 0.81 | SIGMAR1 (0.42) | — | |
| SCHEMBL6943089 | 0.78 | — | — | |
| SCHEMBL11134700 | 0.78 | GPR84 (0.42) | — | |
| SCHEMBL27613850 | 0.78 | CYP2D6 (0.37) | — | |
| SCHEMBL2735761 | 0.77 | SLC22A6 (0.39) | — | |
| SCHEMBL10296120 | 0.76 | MCL1 (0.33) | — | |
| SCHEMBL7898984 | 0.76 | SLC6A4 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-20210179580-A1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION | Jubilant Prodel LLC | 2021-06-17 | — | — | US | disclosed |
| EP-2923692-B1 | Beta-amino ester compounds and uses thereof | LIVING PROOF INC (US) | 2018-05-30 | — | — | EP | disclosed |
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |