⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4988560 | 0.79 | HRH3 (0.41) | — | |
| SCHEMBL9036956 | 0.76 | — | — | |
| SCHEMBL338572 | 0.73 | — | — | |
| SCHEMBL28138740 | 0.73 | ADORA1 (0.38) | — | |
| SCHEMBL13891116 | 0.71 | — | — | |
| SCHEMBL334130 | 0.71 | — | — | |
| SCHEMBL1199229 | 0.71 | — | — | |
| SCHEMBL11854680 | 0.71 | — | — | |
| Bromide SCHEMBL8534627 | 0.71 | — | — | |
| Bromide SCHEMBL3127439 | 0.71 | DDAH1 (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 |
|---|---|---|---|---|---|---|---|
| US-20050239841-A1 | New compounds | BIOVITRUM AB (SE) | 2005-10-27 | — | — | US | claimed |
| WO-2005051381-A1 | Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | claimed |
| US-20050239841-A1 | New compounds | BIOVITRUM AB (SE) | 2005-10-27 | — | — | US | disclosed |
| WO-2005051381-A1 | Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | disclosed |