⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13347959 | 0.56 | — | — | |
| SCHEMBL8496559 | 0.50 | — | — | |
| SCHEMBL283138 | 0.50 | — | — | |
| SCHEMBL8497365 | 0.50 | — | — | |
| SCHEMBL2991373 | 0.47 | — | — | |
| SCHEMBL6324015 | 0.47 | — | — | |
| SCHEMBL4263886 | 0.47 | — | — | |
| SCHEMBL13414647 | 0.47 | — | — | |
| SCHEMBL7953133 | 0.45 | LMNA (0.30) | — | |
| SCHEMBL282507 | 0.45 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016044559-A1 | C-20 STEROID COMPOUNDS, COMPOSITIONS AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS | PREVACUS, INC. (US) | 2016-03-24 | — | — | WO | disclosed |
| US-20130078465-A1 | POLYAMIDE/POLYPHENYLENE ETHER FIBERS AND FIBER-FORMING METHOD | SHPP GLOBAL TECHNOLOGIES B.V. (NL) | 2013-03-28 | — | — | US | disclosed |
| US-20120201794-A1 | DUAL VECTOR FOR INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS | CALIMMUNE INC. (US) | 2012-08-09 | — | — | US | disclosed |
| US-20100158812-A1 | Anti-Cancer Medicine Both for Diagnosing and Treating Cancer | YOUL CHON CHEMICAL CO., LTD. (KR) | 2010-06-24 | — | — | US | disclosed |
| WO-2010058333-A1 | LACTAMS AS BETA SECRETASE INHIBITORS | PFIZER INC. (US) | 2010-05-27 | — | — | WO | disclosed |