⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22503920 | 0.78 | — | — | |
| SCHEMBL18458843 | 0.76 | — | — | |
| SCHEMBL24344910 | 0.72 | — | — | |
| SCHEMBL21284608 | 0.69 | TDP1 (0.32) | — | |
| SCHEMBL22845124 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL17954327 | 0.67 | — | — | |
| SCHEMBL26010674 | 0.67 | — | — | |
| SCHEMBL20287510 | 0.65 | — | — | |
| SCHEMBL10058109 | 0.65 | — | — | |
| SCHEMBL15866580 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020243488-A1 | NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF | SAGE THERAPEUTICS, INC. (US) | 2020-12-03 | — | — | WO | disclosed |
| WO-2017001924-A1 | THERAPEUTIC INHIBITORY COMPOUDS | LIFESCI PHARMACEUTICALS, INC. (BB) | 2017-01-05 | — | — | WO | disclosed |
| US-9512165-B2 | 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof | SAGE THERAPEUTICS, INC. (US) | 2016-12-06 | — | — | US | disclosed |
| US-20160108080-A1 | 19-NOR C3, 3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS, INC. (US) | 2016-04-21 | — | — | US | disclosed |