⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4471856 | 0.85 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL195483 | 0.82 | HTR2A (0.35) | — | |
| SCHEMBL1145735 | 0.81 | KDM4E (0.44) | — | |
| SCHEMBL1364659 | 0.79 | NAAA (0.38) | — | |
| SCHEMBL1430161 | 0.78 | PYCR1 (0.41) | — | |
| SCHEMBL1922494 | 0.76 | — | — | |
| SCHEMBL481256 | 0.74 | IDO1 (0.42) | — | |
| SCHEMBL4142874 | 0.74 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL4147171 | 0.74 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL5442094 | 0.73 | CYP2A6 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8324235-B2 | Heterocyclic spiro-compounds | NOVARTIS AG (CH) | 2012-12-04 | — | — | US | disclosed |
| EP-2134720-B1 | HETEROCYCLIC SPIRO-COMPOUNDS | NOVARTIS AG (CH) | 2010-10-13 | — | — | EP | disclosed |
| US-20100144774-A1 | HETEROCYCLIC SPIRO-COMPOUNDS | NOVARTIS AG (CH) | 2010-06-10 | — | — | US | disclosed |
| EP-2134720-A1 | HETEROCYCLIC SPIRO-COMPOUNDS | Novartis Ag (CH) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008119744-A1 | HETEROCYCLIC SPIRO-COMPOUNDS | NOVARTIS AG (CH) | 2008-10-09 | — | — | WO | disclosed |