⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18319881 | 0.75 | TDP1 (0.34) | — | |
| SCHEMBL31184211 | 0.75 | TDP1 (0.34) | — | |
| SCHEMBL5946432 | 0.72 | CYP3A4 (0.40) | — | |
| SCHEMBL9749580 | 0.72 | XPO1 (0.33) | — | |
| SCHEMBL9750279 | 0.72 | NT5E (0.37) | — | |
| SCHEMBL1787999 | 0.69 | NOTUM (0.35) | — | |
| SCHEMBL6441695 | 0.69 | PDXK (0.35) | — | |
| SCHEMBL38657291 | 0.68 | TDP1 (0.48) | — | |
| SCHEMBL26694654 | 0.68 | TDP1 (0.48) | — | |
| SCHEMBL3752930 | 0.68 | CYP3A4 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5087699-A | Chemical intermediate for pyridinethiolate nickel complex; light stabilizers, infrared absorbers and chelate compounds | RICOH COMPANY, LTD. (JP) | 1992-02-11 | — | — | US | disclosed |