⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2000125 | 0.84 | — | — | |
| SCHEMBL3423317 | 0.81 | — | — | |
| SCHEMBL2032344 | 0.81 | CA12 (0.47) | — | |
| SCHEMBL16504352 | 0.81 | CASP2 (0.44) | — | |
| SCHEMBL8109893 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL23322285 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL3421486 | 0.79 | — | — | |
| SCHEMBL337654 | 0.78 | — | — | |
| SCHEMBL9812850 | 0.78 | ALOX15 (0.47) | — | |
| Diethanolamine SCHEMBL1571734 | 0.78 | CA2 (0.38) | — |
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-20220017505-A1 | AMINOQUINAZOLINONE AND AMINOISOQUINOLINONE DERIVATIVES AND APPLICATION THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2022-01-20 | — | — | US | disclosed |
| US-20200331860-A1 | C-Met Modulators and Methods of Use | EXELIXIS INC (US) | 2020-10-22 | — | — | US | disclosed |