⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12515741 | 1.00 | — | — | |
| SCHEMBL12516018 | 1.00 | — | — | |
| SCHEMBL1838790 | 0.83 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL3959290 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL28165789 | 0.80 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL15577527 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL15577364 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL22313994 | 0.78 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL24659053 | 0.77 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL13145357 | 0.77 | SMN1; SMN2 (0.47) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117683914-A | Salmonella sensitive visual detection method based on PCR (polymerase chain reaction) combined with CRISPR (clustered regularly interspaced short palindromic repeats) Cas13a | 四川大学 | 2024-03-12 | — | — | CN | disclosed |
| US-10280170-B2 | Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2019-05-07 | — | — | US | disclosed |
| EP-3129376-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-12-26 | — | — | EP | disclosed |
| US-20170174690-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-06-22 | — | — | US | disclosed |
| EP-2521707-B1 | BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS | BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) | 2017-06-14 | — | — | EP | disclosed |
| EP-3129376-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2017-02-15 | — | — | EP | disclosed |
| WO-2015144799-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-01 | — | — | WO | disclosed |
| EP-0217207-B1 | 2-AMINO PURINES SUBSTITUTED IN POSITIONS 6 AND 9, THEIR USE, MEDICAMENTS CONTAINING THESE PURINES AND PROCESSES FOR THEIR PREPARATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-04-10 | — | — | EP | disclosed |
| EP-0400686-A1 | 2-Amino-9-[1,3bis-(isopropoxy)-propyl-2-oxymethyl]-purine, its utilization and medicaments containing it | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-12-05 | — | — | EP | disclosed |
| EP-0217207-A1 | 2-Amino purines substituted in positions 6 and 9, their use, medicaments containing these purines and processes for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |
| US-4218401-A | SUPPORTED CATALYST OF RUTHENIUM, RHODIUM, PALLADIUM, PLATINUM, IRIDIUM AND/OR OSMIUM | THE DOW CHEMICAL COMPANY (US) | 1980-08-19 | — | — | US | disclosed |