⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24171958 | 0.83 | — | — | |
| SCHEMBL18469256 | 0.80 | — | — | |
| SCHEMBL21669671 | 0.79 | NOS3 (0.37) | — | |
| SCHEMBL22539818 | 0.72 | NOS3 (0.39) | — | |
| SCHEMBL23678896 | 0.72 | — | — | |
| SCHEMBL3139956 | 0.70 | — | — | |
| SCHEMBL1402674 | 0.70 | — | — | |
| SCHEMBL24208193 | 0.70 | NOS3 (0.31) | — | |
| SCHEMBL22539633 | 0.70 | CA1 (0.39) | — | |
| SCHEMBL23253426 | 0.68 | — | — |
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-20230159455-A1 | DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS | SENSORIUM THERAPEUTICS, INC. | 2023-05-25 | — | — | US | disclosed |
| WO-2020264495-A1 | COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS | SAGE THERAPEUTICS, INC. (US) | 2020-12-30 | — | — | WO | disclosed |
| EP-2691997-B1 | COMPLEXATION OF LOW-MOLECULAR SEMICONDUCTORS FOR THE APPLICATION AS AN EMITTER COMPLEX IN ORGANIC LIGHT-EMITTING ELECTROCHEMICAL CELLS (OLEECS) | OSRAM OLED GMBH (DE) | 2017-09-13 | — | — | EP | disclosed |