⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5268015 | 0.85 | PIK3CD (0.31) | — | |
| SCHEMBL4960598 | 0.81 | KMT2A (0.31) | — | |
| SCHEMBL5292575 | 0.81 | KMT2A (0.34) | — | |
| SCHEMBL34237 | 0.81 | KMT2A (0.34) | — | |
| Acetic Acid SCHEMBL887070 | 0.79 | BRD4 (0.39) | — | |
| Methacrylic Acid SCHEMBL9422689 | 0.77 | KMT2A (0.36) | — | |
| Methacrylic Acid SCHEMBL887731 | 0.77 | KMT2A (0.36) | — | |
| SCHEMBL28051833 | 0.77 | BRD4 (0.35) | — | |
| Acetic Acid SCHEMBL27448041 | 0.77 | BRD4 (0.38) | — | |
| SCHEMBL887051 | 0.76 | KMT2A (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140135297-A1 | AQUEOUS VOLATILE ORGANIC COMPOUND FREE DISINFECTANT AND/OR CLEANING COMPOSITION AND METHOD OF PREPARATION | ISP INVESTMENTS INC. (US) | 2014-05-15 | — | — | US | disclosed |
| US-20130224125-A1 | ALCOHOL-FREE SLIGHTLY-ALCOHOLIC ORAL CARE COMPOSITION AND A PROCESS FOR PREPARING SAME | ISP INVESTMENTS INC. | 2013-08-29 | — | — | US | disclosed |
| WO-2012170841-A1 | AN AQUEOUS VOLATILE ORGANIC COMPOUND FREE DISINFECTANT AND/OR CLEANING COMPOSITION AND METHOD OF PREPARATION | ISP INVESTMENTS INC. (US) | 2012-12-13 | — | — | WO | disclosed |
| US-20100260691-A1 | Aqueous compositions containing a hydrophobic material | ISP INVESTMENTS INC. | 2010-10-14 | — | — | US | disclosed |
| WO-2008016837-A2 | AQUEOUS COMPOSITIONS CONTAINING A HYDROPHOBIC MATERIAL | ISP INVESTMENTS INC. (US) | 2008-02-07 | — | — | WO | disclosed |