⚠ 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 | |
|---|---|---|---|---|
| Butanal SCHEMBL1173336 | 1.00 | — | — | |
| Butanal SCHEMBL27726106 | 0.93 | — | — | |
| Butanal SCHEMBL597713 | 0.93 | ALDH1A1 (1.00) | — | |
| Butanal SCHEMBL9303364 | 0.93 | ALDH1A1 (1.00) | — | |
| Butanal SCHEMBL807 | 0.93 | — | — | |
| Butanal SCHEMBL7323870 | 0.93 | — | — | |
| Butanal SCHEMBL23854344 | 0.89 | — | — | |
| Butanal SCHEMBL2950600 | 0.89 | — | — | |
| Butanal SCHEMBL284804 | 0.89 | — | — | |
| Butanal SCHEMBL21142995 | 0.89 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170190646-A2 | Manufacture of Methylolalkanes with Augmented Heat Transfer and Improved Temperature Control | OQ Chemicals Corporation | 2017-07-06 | — | — | US | disclosed |
| US-9676689-B2 | Manufacture of methylolalkanes with augmented heat transfer and improved temperature control | OXEA BISHOP LLC (US) | 2017-06-13 | — | — | US | disclosed |
| US-9394218-B2 | Manufacture of methylolalkanes | OXEA BISHOP LLC (US) | 2016-07-19 | — | — | US | disclosed |
| US-20160145179-A1 | Manufacture of Methylolalkanes | OXEA BISHOP LLC (US) | 2016-05-26 | — | — | US | disclosed |
| EP-1261592-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001055124-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-08-02 | — | — | WO | disclosed |
| US-5070001-A | LIGHT-SENSITIVE MIXTURE FOR PRODUCING POSITIVE OR NEGATIVE RELIEF COPIES | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-12-03 | — | — | US | disclosed |