⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10057942 | 0.73 | — | — | |
| SCHEMBL724477 | 0.73 | — | — | |
| SCHEMBL724476 | 0.73 | — | — | |
| SCHEMBL862373 | 0.72 | — | — | |
| SCHEMBL19103686 | 0.72 | — | — | |
| SCHEMBL20341221 | 0.67 | — | — | |
| SCHEMBL17754742 | 0.65 | — | — | |
| SCHEMBL12744753 | 0.62 | — | — | |
| SCHEMBL18827576 | 0.62 | — | — | |
| SCHEMBL684767 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3865135-A2 | NEUROACTIVE STEROIDS FOR USE IN THERAPY | Sage Therapeutics, Inc. (US) | 2021-08-18 | — | — | EP | disclosed |
| EP-3192511-A1 | PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR | Chugai Seiyaku Kabushiki Kaisha (JP) | 2017-07-19 | — | — | EP | disclosed |
| US-20080293696-A1 | 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents | BAYER PHARMACEUTICALS CORPORATION (US) | 2008-11-27 | — | — | US | disclosed |