⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17332077 | 0.86 | — | — | |
| SCHEMBL17332115 | 0.86 | — | — | |
| SCHEMBL1057106 | 0.83 | — | — | |
| SCHEMBL549315 | 0.76 | — | — | |
| SCHEMBL17529712 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL15658250 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL17529747 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL17513049 | 0.72 | NFKB1 (0.33) | — | |
| SCHEMBL16634457 | 0.72 | DNM1 (0.39) | — | |
| SCHEMBL308608 | 0.69 | — | — |
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-5364445-A | Adding a basic reactant, combustion | N.E. CHEMCAT CORPORATION (JP) | 1994-11-15 | — | — | US | disclosed |
| US-4396551-A | Method for the recovery of Group VIII noble metal solid complexes | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1983-08-02 | — | — | US | disclosed |