⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5870536 | 1.00 | — | — | |
| SCHEMBL117832 | 0.77 | — | — | |
| SCHEMBL4300520 | 0.77 | DGAT1 (0.46) | — | |
| SCHEMBL5491194 | 0.77 | — | — | |
| SCHEMBL240584 | 0.77 | — | — | |
| SCHEMBL27622606 | 0.77 | — | — | |
| SCHEMBL21058313 | 0.76 | DGAT1 (0.46) | — | |
| SCHEMBL10453213 | 0.74 | — | — | |
| Bromide SCHEMBL5516150 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL2222 | 0.74 | — | — |
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-7045532-B2 | ACE-2 modulating compounds and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-05-16 | — | — | US | disclosed |
| US-20040082496-A1 | ACE-2 modulating compounds and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. | 2004-04-29 | — | — | US | disclosed |
| WO-2002039997-A2 | ACE-2 MODULATING COMPOUNDS AND USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-05-23 | — | — | WO | disclosed |