⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14212415 | 0.75 | NOS1 (0.52) | — | |
| SCHEMBL13662014 | 0.75 | — | — | |
| SCHEMBL15870351 | 0.75 | — | — | |
| SCHEMBL3118208 | 0.75 | — | — | |
| SCHEMBL18814180 | 0.73 | — | — | |
| SCHEMBL23289636 | 0.71 | — | — | |
| SCHEMBL20457723 | 0.71 | — | — | |
| SCHEMBL689417 | 0.67 | — | — | |
| SCHEMBL25894319 | 0.67 | HSD17B10 (0.39) | — | |
| SCHEMBL13078397 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103189063-B | therapeutic compositions and methods | 宾夕法尼亚州研究基金会 | 2016-10-19 | — | — | CN | disclosed |
| US-8969333-B2 | Therapeutic compositions and methods | THE PENN STATE RESEARCH FOUNDATION (US) | 2015-03-03 | — | — | US | disclosed |
| US-20140288059-A1 | THERAPEUTIC COMPOSITIONS AND METHODS | THE PENN STATE RESEARCH FOUNDATION (US) | 2014-09-25 | — | — | US | disclosed |
| US-8710039-B2 | Therapeutic compositions and methods | THE PENN STATE RESEARCH FOUNDATION (US) | 2014-04-29 | — | — | US | disclosed |
| CN-103189063-A | Therapeutic compositions and methods | PENN STATE RES FOUND | 2013-07-03 | — | — | CN | disclosed |
| WO-2012061390-A2 | THERAPEUTIC COMPOSITIONS AND METHODS | THE PENN STATE RESEARCH FOUNDATION (US) | 2012-05-10 | — | — | WO | disclosed |
| US-20120108562-A1 | THERAPEUTIC COMPOSITIONS AND METHODS | THE PENN STATE RESEARCH FOUNDATION (US) | 2012-05-03 | — | — | US | disclosed |