⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL967657 | 0.72 | — | — | |
| SCHEMBL13686206 | 0.67 | TDP1 (0.33) | — | |
| SCHEMBL9720284 | 0.64 | TDP1 (0.38) | — | |
| SCHEMBL303868 | 0.64 | — | — | |
| Trifluoroacetic Acid SCHEMBL28219008 | 0.64 | MEN1 (0.38) | — | |
| SCHEMBL30402270 | 0.62 | DGAT1 (0.42) | — | |
| SCHEMBL28175005 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL27497408 | 0.62 | DGAT1 (0.42) | — | |
| SCHEMBL24946064 | 0.62 | TDP1 (0.31) | — | |
| SCHEMBL15715986 | 0.62 | APLNR (0.39) | — |
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-9523013-B2 | Non-aqueous microemulsion inkjet ink | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2016-12-20 | — | — | US | disclosed |
| US-20150284576-A1 | NON-AQUEOUS MICROEMULSION INKJET INK | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. | 2015-10-08 | — | — | US | disclosed |