⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL280044 | 0.84 | — | — | |
| SCHEMBL3101885 | 0.74 | — | — | |
| SCHEMBL17477583 | 0.68 | ALDH1A1 (0.58) | — | |
| SCHEMBL17477579 | 0.68 | ALDH1A1 (0.58) | — | |
| SCHEMBL2600398 | 0.68 | — | — | |
| SCHEMBL10915 | 0.67 | — | — | |
| Pyrrolidine SCHEMBL15346082 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL195172 | 0.67 | — | — | |
| Piperidine SCHEMBL15346185 | 0.65 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL17363299 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015006615-A1 | ANTICANCER AGENTS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2015-01-15 | — | — | WO | disclosed |
| WO-2012078859-A2 | PROTEIN KINASE D INHIBITORS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2012-06-14 | — | — | WO | disclosed |
| WO-2001079261-A1 | TETRAHYDRO-AZEPINONE DERIVATIVES AS THROMBIN INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 2001-10-25 | — | — | WO | disclosed |