⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27534342 | 0.76 | — | — | |
| SCHEMBL7082340 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL27515442 | 0.67 | — | — | |
| SCHEMBL2405352 | 0.62 | — | — | |
| SCHEMBL7262093 | 0.62 | — | — | |
| Fluoride SCHEMBL27814813 | 0.60 | HDAC8 (0.36) | — | |
| SCHEMBL1348269 | 0.60 | KDM4E (0.32) | — | |
| Hydrochloric Acid SCHEMBL27576989 | 0.60 | HDAC8 (0.36) | — | |
| SCHEMBL7040277 | 0.60 | — | — | |
| SCHEMBL1416134 | 0.60 | L3MBTL1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101668757-A | Pyrrolo [2, 3-b] pyridine derivatives as kinase modulators | PLEXXIKON INC | 2010-03-10 | — | — | CN | claimed |
| CN-1665802-A | Bisarylsulfonamide compounds and their use in cancer therapy | CYCLACEL LTD (GB) | 2005-09-07 | — | — | CN | claimed |
| CN-101878219-A | Imidazothiadiazoles for use as protein kinase inhibitors | CT NAC DE INVESTIGACIONES ONCO | 2010-11-03 | — | — | CN | disclosed |
| CN-101668757-A | Pyrrolo [2, 3-b] pyridine derivatives as kinase modulators | PLEXXIKON INC | 2010-03-10 | — | — | CN | disclosed |
| CN-1665802-A | Bisarylsulfonamide compounds and their use in cancer therapy | CYCLACEL LTD (GB) | 2005-09-07 | — | — | CN | disclosed |