⚠ 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 | |
|---|---|---|---|---|
| Butanol SCHEMBL1418 | 0.84 | — | — | |
| Butanol SCHEMBL2012224 | 0.84 | TSHR (1.00) | — | |
| Butanol SCHEMBL55899 | 0.84 | — | — | |
| Butanol SCHEMBL55049 | 0.84 | — | — | |
| Butanol SCHEMBL1554783 | 0.81 | — | — | |
| Butanol SCHEMBL15733226 | 0.81 | TSHR (0.91) | — | |
| Butanol SCHEMBL8041556 | 0.81 | TSHR (0.91) | — | |
| Butanol SCHEMBL22118216 | 0.81 | TSHR (0.91) | — | |
| Butanol SCHEMBL5697609 | 0.81 | — | — | |
| Butanol SCHEMBL7908046 | 0.81 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5408018-A | Using boron trifluoride/secondary alcohol complex as catalyst | BASF AKTIENGESELLSCHAFT (DE) | 1995-04-18 | — | — | US | disclosed |
| US-5286823-A | Preparation of highly reactive polyisobutenes | BASF AKTIENGESELLSCHAFT (DE) | 1994-02-15 | — | — | US | disclosed |
| US-4960828-A | BLEND OF POLYESTER AND ACRYLIC POLYOL | KANSAI PAINT COMPANY, LIMITED (JP) | 1990-10-02 | — | — | US | disclosed |