⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31734266 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL23754450 | 0.98 | ATM (0.38) | — | |
| Hydrochloric Acid SCHEMBL21598454 | 0.98 | ATM (0.38) | — | |
| SCHEMBL1145384 | 0.78 | — | — | |
| SCHEMBL21211975 | 0.76 | — | — | |
| SCHEMBL10138644 | 0.76 | — | — | |
| SCHEMBL25908276 | 0.74 | ATM (0.38) | — | |
| SCHEMBL21571870 | 0.73 | SLC22A12 (0.42) | — | |
| SCHEMBL18477982 | 0.73 | TDP1 (0.38) | — | |
| SCHEMBL19446092 | 0.73 | ATM (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230312557-A1 | P2X3 MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) | 2023-10-05 | — | — | US | disclosed |
| WO-2021161105-A1 | P2X3 MODULATORS | BELLUS HEALTH COUGH INC. (CA) | 2021-08-19 | — | — | WO | disclosed |
| US-11040031-B2 | Pyrazole derivatives as MALT1 inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2021-06-22 | — | — | US | disclosed |
| WO-2019243964-A1 | PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2019-12-26 | — | — | WO | disclosed |
| CN-101005877-A | Fused triazole derivatives as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes | MERCK & CO INC (US) | 2007-07-25 | — | — | CN | disclosed |