⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7418328 | 0.76 | — | — | |
| SCHEMBL5150993 | 0.76 | — | — | |
| SCHEMBL1820046 | 0.73 | — | — | |
| SCHEMBL31531435 | 0.69 | MAPT (0.47) | — | |
| SCHEMBL15691387 | 0.68 | — | — | |
| SCHEMBL10713413 | 0.66 | KDM4E (0.31) | — | |
| SCHEMBL29211178 | 0.66 | ALDH1A1 (0.54) | — | |
| SCHEMBL9527695 | 0.66 | ADORA1 (0.41) | — | |
| SCHEMBL15353884 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL9487040 | 0.64 | — | — |
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-20110098483-A1 | Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2011-04-28 | — | — | US | disclosed |
| WO-2009121033-A2 | SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2009-10-01 | — | — | WO | disclosed |
| US-20090247766-A1 | Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2009-10-01 | — | — | US | disclosed |
| EP-0291853-B1 | THIENON COMPOUNDS | BASF Aktiengesellschaft (DE) | 1993-07-28 | — | — | EP | disclosed |
| US-4908437-A | Thien-2-one compounds with an alkylidene or imino group in the 5-position of the ring | BASF AKTIENGESELLSCHAFT (DE) | 1990-03-13 | — | — | US | disclosed |
| EP-0291853-A2 | Thienon compounds | BASF Aktiengesellschaft (DE) | 1988-11-23 | — | — | EP | disclosed |