⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL753484 | 0.88 | HKDC1 (0.30) | — | |
| SCHEMBL12841529 | 0.63 | KIF11 (0.35) | — | |
| SCHEMBL753643 | 0.61 | MAPT (0.39) | — | |
| SCHEMBL18255250 | 0.60 | ALDH1A1 (0.44) | — | |
| SCHEMBL753447 | 0.59 | CYP2A6 (0.42) | — | |
| SCHEMBL13319556 | 0.59 | ALDH1A1 (0.46) | — | |
| SCHEMBL753460 | 0.57 | CYP2A6 (0.39) | — | |
| SCHEMBL14146663 | 0.57 | EPAS1 (0.32) | — | |
| SCHEMBL31557593 | 0.56 | KIF11 (0.47) | — | |
| SCHEMBL12403033 | 0.56 | PTGS2 (0.43) | — |
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 |