⚠ 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 | |
|---|---|---|---|---|
| 2-Pentanol SCHEMBL14956 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL469224 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL469268 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL17511847 | 0.96 | TSHR (0.53) | — | |
| 2-Pentanol SCHEMBL31375664 | 0.93 | — | — | |
| 2-Pentanol SCHEMBL11046874 | 0.93 | TSHR (0.50) | — | |
| 2-Pentanol SCHEMBL5141639 | 0.93 | — | — | |
| 2-Pentanol SCHEMBL1782096 | 0.93 | — | — | |
| 2-Pentanol SCHEMBL28809354 | 0.93 | — | — | |
| 2-Pentanol SCHEMBL27923605 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101323557-B | Low temperature thermal conductive inks | AIR PROD & CHEM | 2013-09-18 | — | — | CN | claimed |
| US-8143431-B2 | Low temperature thermal conductive inks | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2012-03-27 | — | — | US | claimed |
| CN-101323557-A | Low temperature thermal conductive inks | AIR PROD & CHEM (US) | 2008-12-17 | — | — | CN | claimed |
| US-20080305268-A1 | Low Temperature Thermal Conductive Inks | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2008-12-11 | — | — | US | claimed |
| US-4029690-A | WITH 2,5-DIMETHYL-2,4-HEXADIENE AND AN ALKYL DIAZOACETATE WITH A COPPER COMPLEX CATALYST | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1977-06-14 | — | — | US | disclosed |
| US-4029683-A | WITH A SCHIFF BASE, CHRYSANTHEMATE SYNTHESIS CATALYST | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1977-06-14 | — | — | US | disclosed |