⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9976830 | 0.89 | HDAC6 (0.30) | — | |
| SCHEMBL17450012 | 0.89 | — | — | |
| SCHEMBL14982632 | 0.84 | — | — | |
| SCHEMBL12841402 | 0.82 | — | — | |
| SCHEMBL9976836 | 0.78 | NQO2 (0.33) | — | |
| SCHEMBL15836555 | 0.78 | NQO2 (0.33) | — | |
| SCHEMBL9976840 | 0.75 | GPR119 (0.31) | — | |
| SCHEMBL9976839 | 0.72 | ACACA (0.32) | — | |
| SCHEMBL9980004 | 0.72 | CYP11B1 (0.33) | — | |
| SCHEMBL9976862 | 0.71 | POLB (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680296-B2 | Leaving substituent-containing compound, products produced using the same, and methods for producing the products | RICOH COMPANY, LTD. (JP) | 2014-03-25 | — | — | US | disclosed |
| US-8680296-B2 | Leaving substituent-containing compound, products produced using the same, and methods for producing the products | RICOH COMPANY, LTD. (JP) | 2014-03-25 | — | — | US | disclosed |
| US-20120153271-A1 | LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND | RICOH COMPANY, LTD. (JP) | 2012-06-21 | — | — | US | disclosed |
| US-20120153271-A1 | LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND | RICOH COMPANY, LTD. (JP) | 2012-06-21 | — | — | US | disclosed |