⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL752710 | 0.89 | TERT (0.33) | — | |
| SCHEMBL754915 | 0.87 | CYP3A4 (0.32) | — | |
| SCHEMBL756003 | 0.78 | MAPK1 (0.39) | — | |
| SCHEMBL15131714 | 0.70 | TERT (0.39) | — | |
| SCHEMBL20804902 | 0.70 | TERT (0.33) | — | |
| SCHEMBL12403114 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL15593248 | 0.70 | NQO2 (0.31) | — | |
| SCHEMBL12403141 | 0.69 | NQO2 (0.40) | — | |
| SCHEMBL18828940 | 0.68 | PTPN1 (0.35) | — | |
| SCHEMBL120843 | 0.67 | BCHE (0.37) | — |
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-8138355-B2 | Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same | TOSOH CORPORATION (JP) | 2012-03-20 | — | — | US | disclosed |
| US-20090261300-A1 | HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME | TOSOH CORPORATION (JP) | 2009-10-22 | — | — | US | disclosed |