⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10085124 | 0.77 | — | — | |
| SCHEMBL17424522 | 0.72 | TMIGD3 (0.34) | — | |
| SCHEMBL793629 | 0.69 | NQO2 (0.36) | — | |
| SCHEMBL12278104 | 0.68 | — | — | |
| SCHEMBL14691351 | 0.67 | USP8 (0.30) | — | |
| SCHEMBL793207 | 0.67 | ABCB11 (0.37) | — | |
| SCHEMBL10085128 | 0.66 | MAPT (0.41) | — | |
| SCHEMBL12279119 | 0.65 | — | — | |
| SCHEMBL12269056 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL24404197 | 0.64 | GAA (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9716241-B2 | Polycyclic dithiophenes | BASF SE (DE) | 2017-07-25 | — | — | US | disclosed |
| US-9716241-B2 | Polycyclic dithiophenes | BASF SE (DE) | 2017-07-25 | — | — | US | disclosed |
| US-20160104849-A1 | POLYCYCLIC DITHIOPHENES | BASF SE (DE) | 2016-04-14 | — | — | US | disclosed |
| US-9233930-B2 | Polycyclic dithiophenes | BASF SE (DE) | 2016-01-12 | — | — | US | disclosed |
| US-20120097935-A1 | POLYCYCLIC DITHIOPHENES | BASF SE (DE) | 2012-04-26 | — | — | US | disclosed |