⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7471232 | 0.77 | — | — | |
| SCHEMBL21293466 | 0.76 | — | — | |
| SCHEMBL10640094 | 0.76 | — | — | |
| SCHEMBL5613373 | 0.76 | — | — | |
| SCHEMBL7465924 | 0.73 | — | — | |
| SCHEMBL2010079 | 0.72 | — | — | |
| SCHEMBL7806840 | 0.71 | — | — | |
| SCHEMBL1996668 | 0.71 | — | — | |
| SCHEMBL16673433 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2086627 | 0.68 | TDP1 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7858349-B2 | Anti-cancer compounds | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2010-12-28 | — | — | US | disclosed |
| WO-2010127381-A1 | DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS | JAMES COOK UNIVERSITY (AU) | 2010-11-11 | — | — | WO | disclosed |
| US-20090088454-A1 | ANTI-CANCER COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2009-04-02 | — | — | US | disclosed |
| US-7427496-B2 | Anti-cancer compounds | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2008-09-23 | — | — | US | disclosed |
| US-20060183772-A1 | To inhibit tumor growth in an animal; to induce apoptosis | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-08-17 | — | — | US | disclosed |
| EP-0650476-A1 | PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-05-03 | — | — | EP | disclosed |