⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL8026268 | 1.00 | TSHR (0.32) | — | |
| SCHEMBL141108 | 0.90 | — | — | |
| Water SCHEMBL16146969 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL3490957 | 0.88 | — | — | |
| Methylene Chloride SCHEMBL7701261 | 0.84 | CYP3A4 (0.35) | — | |
| Methylene Chloride SCHEMBL3432012 | 0.84 | CYP3A4 (0.35) | — | |
| Methylene Chloride SCHEMBL8805297 | 0.84 | — | — | |
| Methylene Chloride SCHEMBL2207208 | 0.84 | CYP3A4 (0.35) | — | |
| Methylene Chloride SCHEMBL7211677 | 0.84 | CYP3A4 (0.35) | — | |
| Acetone SCHEMBL4628352 | 0.80 | MCL1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1497265-B1 | COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY | GLAXO GROUP LTD (GB) | 2009-02-18 | — | — | EP | disclosed |
| US-20050203079-A1 | Compounds having affinity at 5ht2C receptor and use thereof in therapy | GLAXO GROUP LIMITED | 2005-09-15 | — | — | US | disclosed |
| EP-1497265-A1 | COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY | GLAXO GROUP LIMITED (GB) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003089409-A1 | COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY | GLAXO GROUP LIMITED (GB) | 2003-10-30 | — | — | WO | disclosed |