⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6130157 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL471036 | 0.75 | — | — | |
| SCHEMBL17149391 | 0.73 | — | — | |
| SCHEMBL2696225 | 0.73 | FFAR1 (0.38) | — | |
| SCHEMBL3239305 | 0.73 | — | — | |
| SCHEMBL6270199 | 0.73 | FFAR1 (0.43) | — | |
| SCHEMBL1164293 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL3953394 | 0.73 | — | — | |
| SCHEMBL229715 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL19621 | 0.71 | — | — |
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-9624214-B2 | Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-04-18 | — | — | US | disclosed |
| US-7244861-B2 | Benzene compound and salt thereof | EISAI CO., LTD. (JP) | 2007-07-17 | — | — | US | disclosed |
| US-20040138271-A1 | Benzene compound and salt thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-07-15 | — | — | US | disclosed |
| EP-1375472-A1 | BENZENE COMPOUND AND SALT THEREOF | Eisai Co., Ltd. (JP) | 2004-01-02 | — | — | EP | disclosed |