⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19655457 | 0.82 | — | — | |
| SCHEMBL19655441 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL19655445 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL19655461 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL19655443 | 0.66 | MAPT (0.30) | — | |
| SCHEMBL1937162 | 0.62 | — | — | |
| SCHEMBL9229050 | 0.59 | — | — | |
| SCHEMBL1471263 | 0.55 | — | — | |
| Diethyl Sulfide SCHEMBL11391850 | 0.54 | — | — | |
| Diethyl Sulfide SCHEMBL1327 | 0.54 | — | — |
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-9991518-B2 | Polythiophene derivative, method for producing same, positive electrode active material for secondary batteries, and secondary battery | RICOH COMPANY, LTD. (JP) | 2018-06-05 | — | — | US | disclosed |
| US-20170346095-A1 | POLYTHIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, POSITIVE ELECTRODE ACTIVE MATERIAL FOR SECONDARY BATTERIES, AND SECONDARY BATTERY | RICOH COMPANY, LTD. (JP) | 2017-11-30 | — | — | US | disclosed |