⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10105611 | 0.87 | FFAR2 (0.32) | — | |
| SCHEMBL83611 | 0.73 | — | — | |
| SCHEMBL15187503 | 0.69 | — | — | |
| SCHEMBL10105599 | 0.69 | — | — | |
| SCHEMBL8025215 | 0.68 | — | — | |
| SCHEMBL23137411 | 0.67 | — | — | |
| SCHEMBL18610463 | 0.67 | FFAR2 (0.35) | — | |
| SCHEMBL21962056 | 0.67 | ADORA3 (0.31) | — | |
| SCHEMBL21339894 | 0.66 | ABCG2 (0.41) | — | |
| SCHEMBL1553684 | 0.66 | — | — |
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-8293729-B2 | Compounds, pharmaceutical composition and methods relating thereto | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-07 | — | — | US | disclosed |