⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15939489 | 0.74 | — | — | |
| SCHEMBL27313827 | 0.74 | — | — | |
| SCHEMBL128784 | 0.73 | — | — | |
| SCHEMBL128662 | 0.73 | — | — | |
| SCHEMBL2337669 | 0.73 | — | — | |
| SCHEMBL27503950 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL18952379 | 0.71 | MEN1 (0.44) | — | |
| SCHEMBL128220 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL2036937 | 0.69 | ALOX15 (0.36) | — | |
| SCHEMBL5354136 | 0.69 | ALOX15 (0.36) | — |
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-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-07-16 | — | — | US | claimed |
| US-7429597-B2 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2008-09-30 | — | — | US | claimed |