⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4274519 | 0.91 | FAAH (0.38) | — | |
| SCHEMBL4274516 | 0.91 | FAAH (0.38) | — | |
| SCHEMBL27571128 | 0.87 | PHGDH (0.59) | — | |
| Ethylamine SCHEMBL10796936 | 0.79 | PHGDH (0.50) | — | |
| SCHEMBL7500559 | 0.78 | ADH1C (0.53) | — | |
| SCHEMBL5127612 | 0.75 | SMYD3 (0.37) | — | |
| SCHEMBL7470106 | 0.75 | DPP4 (0.30) | — | |
| SCHEMBL5844177 | 0.74 | MCHR1 (0.36) | — | |
| SCHEMBL967140 | 0.72 | — | — | |
| SCHEMBL5659264 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101258131-B | As 5-HT2c6-aralkylamino-2 receptor agonists | LILLY CO ELI | 2013-07-24 | — | — | CN | disclosed |
| CN-101062037-B | Process for their preparation of thioxanthine derivatives, their use | ASTRAZENECA AB | 2011-05-25 | — | — | CN | disclosed |
| CN-101258131-A | As 5-HT2c6-aralkylamino-2, 3,4, 5-tetrahydro-1H-benzo [ d ] receptors as agonists]Aza * | LILLY CO ELI (US) | 2008-09-03 | — | — | CN | disclosed |
| CN-100379737-C | Thioxanthine derivatives as myeloperoxidase inhibitors | ASTRAZENECA AB (SE) | 2008-04-09 | — | — | CN | disclosed |
| CN-101096368-A | Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | NPS PHARMA INC (SE) | 2008-01-02 | — | — | CN | disclosed |
| CN-101062037-A | Thioxanthine derivatives, process for their preparation (variants), their use and composition containing them | ASTRAZENECA AB (SE) | 2007-10-31 | — | — | CN | disclosed |
| CN-1984907-A | Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | ASTRAZENECA AB (SE) | 2007-06-20 | — | — | CN | disclosed |
| CN-1646531-A | Thioxanthine derivatives as myeloperoxidase inhibitors | ASTRAZENECA AB (SE) | 2005-07-27 | — | — | CN | disclosed |