⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL27715684 | 0.79 | HTT (0.30) | — | |
| SCHEMBL28716007 | 0.78 | MMP3 (0.31) | — | |
| SCHEMBL27769282 | 0.78 | HTT (0.36) | — | |
| SCHEMBL27842876 | 0.76 | GAA (0.32) | — | |
| SCHEMBL27792932 | 0.73 | HTT (0.35) | — | |
| SCHEMBL27687122 | 0.71 | POLB (0.31) | — | |
| SCHEMBL28711966 | 0.69 | HTT (0.33) | — | |
| SCHEMBL5071466 | 0.69 | — | — | |
| SCHEMBL27702528 | 0.68 | — | — | |
| SCHEMBL28874371 | 0.68 | HTT (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101616956-B | Polymer-(organo)clay complex, composition comprising the complex, sheet-like material comprising the complex or composition, and method for production of polymer-(organo)clay complex | ASAHI CHEMICAL CORP (JP) | 2012-08-22 | — | — | CN | disclosed |
| CN-101616956-A | Polymkeric substance-(organic) clay complex, use the composition of this mixture and use the manufacture method of their flap and polymkeric substance-(organic) clay complex | ASAHI CHEMICAL CORP (JP) | 2009-12-30 | — | — | CN | disclosed |