⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16786320 | 1.00 | — | — | |
| SCHEMBL1245043 | 1.00 | — | — | |
| SCHEMBL10014663 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL441126 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL12364443 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL6572391 | 0.77 | — | — | |
| SCHEMBL12364439 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL5931164 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL8516888 | 0.74 | — | — | |
| SCHEMBL16885352 | 0.74 | TSHR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160022701-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | SAGE THERAPEUTICS INC (US) | 2016-01-28 | — | — | US | disclosed |
| US-20150158903-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | SAGE THERAPEUTICS, INC. (US) | 2015-06-11 | — | — | US | disclosed |
| EP-2010185-B1 | DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2012-06-13 | — | — | EP | disclosed |