⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64043 | 0.81 | CA2 (0.33) | — | |
| SCHEMBL12750102 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL10493368 | 0.71 | KDM4E (0.36) | — | |
| SCHEMBL4865 | 0.71 | — | — | |
| SCHEMBL79143 | 0.71 | — | — | |
| SCHEMBL14420273 | 0.69 | — | — | |
| SCHEMBL6690727 | 0.69 | FAAH (0.43) | — | |
| SCHEMBL10042746 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL28597231 | 0.69 | LMNA (0.34) | — | |
| Methane SCHEMBL9153389 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090118332-A1 | Therapeutic Agents - 551 | ASTRAZENECA AB (SE) | 2009-05-07 | — | — | US | disclosed |
| US-20090105305-A1 | Therapeutic Agents - 550 | ASTRAZENECA AB (SE) | 2009-04-23 | — | — | US | disclosed |
| WO-2008075070-A1 | SULFONAMIDE DERIVATIVES FOR THERAPEUTIC USE AS FATTY ACID SYNTHASE INHIBITORS | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | WO | disclosed |
| EP-1599465-A1 | SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES | Bayer CropScience AG (DE) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004074274-A1 | SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2004-09-02 | — | — | WO | disclosed |