⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12590729 | 0.90 | CDC25A (0.32) | — | |
| SCHEMBL10271778 | 0.90 | — | — | |
| SCHEMBL1153604 | 0.87 | CETP (0.32) | — | |
| SCHEMBL17607221 | 0.84 | LMNA (0.36) | — | |
| SCHEMBL19106733 | 0.84 | PIK3CD (0.31) | — | |
| SCHEMBL21976648 | 0.82 | OPRM1 (0.32) | — | |
| SCHEMBL17607217 | 0.80 | LMNA (0.39) | — | |
| SCHEMBL17607274 | 0.80 | LMNA (0.39) | — | |
| SCHEMBL19106738 | 0.80 | — | — | |
| SCHEMBL19501044 | 0.79 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4245369-A2 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | Sage Therapeutics, Inc. (US) | 2023-09-20 | — | — | EP | disclosed |
| US-20230270751-A1 | BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION | PFIZER INC. | 2023-08-31 | — | — | US | disclosed |
| US-20170304321-A1 | NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS INC (US) | 2017-10-26 | — | — | US | disclosed |
| WO-2016057713-A1 | NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS, INC. (US) | 2016-04-14 | — | — | WO | disclosed |
| 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 |
| WO-2014160441-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | SAGE THERAPEUTICS, INC. (US) | 2014-10-02 | — | — | WO | disclosed |
| US-20080280974-A1 | Spiro compounds for treatment of inflammatory disorders | CRABTREE ACQUISITION CO, LLC | 2008-11-13 | — | — | US | disclosed |
| US-7414057-B2 | Piperazine urea derivatives as melanocortin-4 receptor agonists | MERCK & CO., INC. (US) | 2008-08-19 | — | — | US | disclosed |