⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12848816 | 0.59 | — | — | |
| SCHEMBL12566336 | 0.46 | — | — | |
| SCHEMBL11802553 | 0.42 | HRH4 (0.34) | — | |
| SCHEMBL15359623 | 0.42 | — | — | |
| SCHEMBL2179725 | 0.42 | — | — | |
| SCHEMBL371433 | 0.41 | CA1 (0.47) | — | |
| SCHEMBL104124 | 0.41 | TYR (0.58) | — | |
| SCHEMBL12922239 | 0.41 | ALDH1A1 (0.31) | — | |
| SCHEMBL20193483 | 0.41 | — | — | |
| SCHEMBL2308676 | 0.40 | ALDH1A1 (0.30) | — |
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 |