⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18876212 | 0.74 | ACHE (0.39) | — | |
| SCHEMBL1687710 | 0.70 | HTR1B (0.31) | — | |
| SCHEMBL6654083 | 0.70 | KDM4E (0.43) | — | |
| SCHEMBL12969165 | 0.69 | KMT2A (0.38) | — | |
| SCHEMBL1687727 | 0.69 | CYP2D6 (0.48) | — | |
| SCHEMBL19578806 | 0.66 | ALOX5 (0.40) | — | |
| SCHEMBL1868809 | 0.65 | KMT2A (0.38) | — | |
| SCHEMBL16753024 | 0.63 | MEN1 (0.40) | — | |
| SCHEMBL6685021 | 0.63 | RIPK1 (0.40) | — | |
| SCHEMBL4650996 | 0.62 | BDKRB2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2452942-A1 | SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM | Sumitomo Chemical Company, Limited (JP) | 2012-05-16 | — | — | EP | disclosed |
| WO-2012046818-A1 | METHOD FOR PRODUCING CHALCOGEN-CONTAINING CONDENSED POLYCYCLIC COMPOUND | 住友化学株式会社 (JP) | 2012-04-12 | — | — | WO | disclosed |