⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16477959 | 0.90 | THRA (0.32) | — | |
| SCHEMBL16477975 | 0.85 | PPARG (0.33) | — | |
| SCHEMBL16477966 | 0.83 | PTPN11 (0.36) | — | |
| SCHEMBL17452488 | 0.77 | — | — | |
| SCHEMBL18012817 | 0.73 | PDK2 (0.36) | — | |
| SCHEMBL16477961 | 0.72 | RAB9A (0.40) | — | |
| SCHEMBL16477955 | 0.72 | — | — | |
| SCHEMBL16477977 | 0.72 | THRA (0.36) | — | |
| SCHEMBL17056201 | 0.71 | PDK2 (0.41) | — | |
| SCHEMBL16477987 | 0.70 | PTPN11 (0.35) | — |
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-9382259-B2 | Compounds with oxime ester and/or acyl groups | AMERICAN DYE SOURCE, INC. (CA) | 2016-07-05 | — | — | US | disclosed |
| US-20160016964-A1 | Compounds With Oxime Ester And/Or Acyl Groups | AMERICAN DYE SOURCE, INC. (CA) | 2016-01-21 | — | — | US | disclosed |
| US-9127017-B2 | Compounds with oxime ester and/or acyl groups | AMERICAN DYE SOURCE, INC. (CA) | 2015-09-08 | — | — | US | disclosed |
| US-20140200350-A1 | COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS | AMERICAN DYE SOURCE, INC. (CA) | 2014-07-17 | — | — | US | disclosed |