⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6435429 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL137051 | 0.81 | — | — | |
| SCHEMBL18204468 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL133060 | 0.69 | — | — | |
| SCHEMBL7677517 | 0.68 | EPHX1 (0.34) | — | |
| SCHEMBL6435432 | 0.68 | EPHX1 (0.34) | — | |
| SCHEMBL136086 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL7681560 | 0.66 | EPHX1 (0.31) | — | |
| SCHEMBL134763 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL9207417 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120058940-A9 | AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20110003738-A1 | AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-06 | — | — | US | disclosed |