⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20654712 | 0.69 | — | — | |
| SCHEMBL26857211 | 0.69 | — | — | |
| SCHEMBL12656387 | 0.66 | — | — | |
| SCHEMBL15492509 | 0.65 | — | — | |
| SCHEMBL6953491 | 0.65 | — | — | |
| SCHEMBL19265013 | 0.65 | — | — | |
| SCHEMBL20404398 | 0.65 | — | — | |
| SCHEMBL11415676 | 0.64 | — | — | |
| SCHEMBL7882713 | 0.64 | — | — | |
| SCHEMBL18831002 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102753556-B | Synthetic methods for spiro-oxindole compounds | XENON PHARMACEUTICALS INC | 2015-05-13 | — | — | CN | disclosed |
| CN-102272083-B | Improvements in or relating to alcohols | EXXONMOBIL CHEM PATENTS INC | 2015-01-21 | — | — | CN | disclosed |
| CN-102753556-A | Synthetic methods for spiro-oxindole compounds | XENON PHARMACEUTICALS INC | 2012-10-24 | — | — | CN | disclosed |
| CN-102272083-A | Improvements in or relating to alcohols | — | 2011-12-07 | — | — | CN | disclosed |
| CN-102015715-A | Fused pyrimidones as TRPV3 modulators | GLENMARK PHARMACEUTICALS SA | 2011-04-13 | — | — | CN | disclosed |
| US-20090275619-A1 | Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-11-05 | — | — | US | disclosed |