⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2721543 | 0.86 | — | — | |
| SCHEMBL31392785 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL27799963 | 0.71 | — | — | |
| SCHEMBL7843318 | 0.70 | — | — | |
| SCHEMBL7746085 | 0.70 | SLC7A5 (0.36) | — | |
| SCHEMBL7746093 | 0.70 | SLC7A5 (0.36) | — | |
| SCHEMBL6204258 | 0.70 | — | — | |
| SCHEMBL1133633 | 0.69 | — | — | |
| SCHEMBL28797310 | 0.68 | HCAR3 (0.32) | — | |
| SCHEMBL12514244 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024072930-A1 | DOPAMINE D3/D2 RECEPTOR PARTIAL AGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2024-04-04 | — | — | WO | disclosed |
| EP-3362754-A1 | PROTEASOME INHIBITORS AND USES THEREOF | Cornell University (US) | 2018-08-22 | — | — | EP | disclosed |
| WO-2017066763-A1 | PROTEASOME INHIBITORS AND USES THEREOF | CORNELL UNIVERSITY (US) | 2017-04-20 | — | — | WO | disclosed |
| WO-2011041593-A1 | NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE | UNIVERSITY OF KANSAS (US) | 2011-04-07 | — | — | WO | disclosed |
| WO-2008072257-A2 | PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES | IND-SWIFT LABORATORIES LIMITED (IN) | 2008-06-19 | — | — | WO | disclosed |
| EP-1682530-A1 | SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 | Wyeth (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005030756-A1 | SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 | WYETH (US) | 2005-04-07 | — | — | WO | disclosed |