⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22627609 | 0.85 | — | — | |
| SCHEMBL14220688 | 0.80 | TSHR (0.34) | — | |
| SCHEMBL18513846 | 0.78 | — | — | |
| SCHEMBL22622820 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL18544760 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL20806087 | 0.76 | — | — | |
| SCHEMBL18752103 | 0.74 | — | — | |
| SCHEMBL20178005 | 0.74 | — | — | |
| SCHEMBL6888587 | 0.74 | — | — | |
| SCHEMBL27582696 | 0.73 | ALDH1A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10822370-B2 | 19-nor neuroactive steroids and methods of use thereof | SAGE THERAPEUTICS, INC. (US) | 2020-11-03 | — | — | US | disclosed |
| US-10561666-B2 | Amido compounds as RORγt modulators and uses thereof | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2020-02-18 | — | — | US | disclosed |
| US-20190216895-A1 | BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF | LAUREN SCIENCES LLC (US) | 2019-07-18 | — | — | US | disclosed |
| US-20190112331-A1 | 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS, INC. | 2019-04-18 | — | — | US | disclosed |