⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3245248 | 0.78 | — | — | |
| SCHEMBL6986884 | 0.78 | — | — | |
| SCHEMBL17536800 | 0.78 | — | — | |
| SCHEMBL3636714 | 0.78 | — | — | |
| SCHEMBL4268111 | 0.78 | — | — | |
| SCHEMBL18825615 | 0.78 | — | — | |
| SCHEMBL18682996 | 0.72 | — | — | |
| SCHEMBL8076950 | 0.71 | — | — | |
| SCHEMBL4821619 | 0.69 | CLK4 (0.36) | — | |
| SCHEMBL16486123 | 0.67 | LMNA (0.34) | — |
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-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | claimed |
| EP-1421071-A2 | SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS | NOVO NORDISK A/S (DK) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003004480-A2 | SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS | NOVO NORDISK A/S (DK) | 2003-01-16 | — | — | WO | disclosed |