⚠ 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 | |
|---|---|---|---|---|
| Octanol SCHEMBL5159414 | 0.97 | TSHR (0.72) | — | |
| Cetostearyl Alcohol SCHEMBL28119730 | 0.97 | TSHR (0.72) | — | |
| Myristyl Alcohol SCHEMBL27619355 | 0.97 | TSHR (0.72) | — | |
| 1-Hexanol SCHEMBL28299651 | 0.97 | TSHR (0.72) | — | |
| Dodecanol SCHEMBL10801052 | 0.97 | TSHR (0.72) | — | |
| Dodecanol SCHEMBL9228924 | 0.95 | TSHR (0.68) | — | |
| Decanol SCHEMBL28159634 | 0.95 | TSHR (0.68) | — | |
| Butyl Alcohol SCHEMBL2014984 | 0.91 | — | — | |
| Butyl Alcohol SCHEMBL28866161 | 0.88 | ALDH1A1 (0.65) | — | |
| 1-Hexanol SCHEMBL5905855 | 0.88 | TSHR (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001009197-A9 | REDUCTION OF ALKYL-ARYL POLYMERIC KETONES USING A METAL ALKOXIDE | BIC CORP (US) | 2003-05-08 | — | — | WO | disclosed |
| EP-1204684-A1 | REDUCTION OF ALKYL-ARYL POLYMERIC KETONES USING A METAL ALKOXIDE | BIC CORPORATION (US) | 2002-05-15 | — | — | EP | disclosed |
| US-6222009-B1 | REFLUXING MIXTURE OF POLYMERIC ALKYL-ARYL KETONE RESIN AND METAL ALKOXIDE REDUCING AGENT IN SOLVENT TO FORM INTERMEDIATE AND KETONE; REMOVING KETONE; REACTING SOLVENT WITH METAL ALKOXIDE INTERMEDIATE TO FORM POLYMERIC ALKYL-ARYL ALCOHOL | BIC CORPORATION | 2001-04-24 | — | — | US | disclosed |
| WO-2001009197-A1 | REDUCTION OF ALKYL-ARYL POLYMERIC KETONES USING A METAL ALKOXIDE | BIC CORPORATION (US) | 2001-02-08 | — | — | WO | disclosed |