⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22632178 | 0.67 | — | — | |
| SCHEMBL30306366 | 0.65 | EGFR (0.34) | — | |
| SCHEMBL26319499 | 0.65 | EGFR (0.34) | — | |
| SCHEMBL25612599 | 0.58 | — | — | |
| SCHEMBL21173224 | 0.58 | LCK (0.36) | — | |
| SCHEMBL25656471 | 0.58 | LCK (0.36) | — | |
| SCHEMBL17431036 | 0.58 | MCL1 (0.33) | — | |
| SCHEMBL22632184 | 0.58 | MAPT (0.38) | — | |
| SCHEMBL11587176 | 0.58 | IDO1 (0.37) | — | |
| SCHEMBL8942751 | 0.58 | GAA (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200347077-A1 | THIOPHENE END GROUPS OF NON-FULLERENE ACCEPTORS FOR ELECTRONIC AND PHOTONIC APPLICATIONS | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2020-11-05 | — | — | US | disclosed |