⚠ 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 | |
|---|---|---|---|---|
| Methyl Isobutyl Ketone SCHEMBL15458 | 0.97 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1128055 | 0.97 | ALDH1A1 (1.00) | — | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.97 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL8421472 | 0.93 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL809423 | 0.93 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL7073455 | 0.93 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL31538828 | 0.93 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL6387945 | 0.93 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL2188913 | 0.93 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL358566 | 0.93 | — | — |
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-8143431-B2 | Low temperature thermal conductive inks | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2012-03-27 | — | — | US | claimed |
| US-20080305268-A1 | Low Temperature Thermal Conductive Inks | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2008-12-11 | — | — | US | claimed |
| US-8143431-B2 | Low temperature thermal conductive inks | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-20080305268-A1 | Low Temperature Thermal Conductive Inks | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2008-12-11 | — | — | US | disclosed |