⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8967327 | 0.75 | — | — | |
| SCHEMBL4669536 | 0.73 | — | — | |
| SCHEMBL29350069 | 0.73 | — | — | |
| SCHEMBL28219 | 0.73 | — | — | |
| SCHEMBL28003965 | 0.73 | TAAR1 (0.43) | — | |
| SCHEMBL22077551 | 0.73 | NOS1 (0.37) | — | |
| SCHEMBL30005812 | 0.70 | — | — | |
| SCHEMBL28881389 | 0.70 | — | — | |
| Benzene SCHEMBL10535043 | 0.70 | ALDH1A1 (0.43) | — | |
| Fluoride SCHEMBL27807095 | 0.70 | TAAR1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230217813-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS | IDEMITSU KOSAN CO.,LTD. (JP) | 2023-07-06 | — | — | US | disclosed |
| WO-2015046955-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2015-04-02 | — | — | WO | disclosed |
| US-20140142322-A1 | Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids | GREENCENTRE CANADA (CA) | 2014-05-22 | — | — | US | disclosed |
| EP-2044043-B1 | 1- Ý[- (2, 4-DIMETHYLPHENYLSULFANYL) -PHENYL]PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT | LUNDBECK & CO AS H (DK) | 2012-01-11 | — | — | EP | disclosed |