⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL27675636 | 0.82 | — | — | |
| Acetaldehyde SCHEMBL2868655 | 0.81 | TSHR (0.46) | — | |
| Isobutane SCHEMBL29280324 | 0.76 | ADH1B (0.35) | — | |
| Isobutane SCHEMBL29090726 | 0.76 | ADH1B (0.35) | — | |
| Hydrogen Peroxide SCHEMBL135351 | 0.76 | ALDH1A1 (0.33) | — | |
| Hydrogen Peroxide SCHEMBL135349 | 0.76 | ALDH1A1 (0.33) | — | |
| Methyl Alcohol SCHEMBL2866912 | 0.76 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL5874211 | 0.76 | ADH1B (0.33) | — | |
| SCHEMBL3751552 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL22407 | 0.76 | ALDH1A1 (0.30) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200179254-A1 | IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION | HENKEL AG & CO. KGAA (DE) | 2020-06-11 | — | — | US | disclosed |
| US-20190240129-A1 | CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION | HENKEL AG & CO. KGAA (DE) | 2019-08-08 | — | — | US | disclosed |
| EP-3518878-A1 | IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION | Henkel AG & Co. KGaA (DE) | 2019-08-07 | — | — | EP | disclosed |
| US-20190216703-A1 | IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION | HENKEL AG & CO. KGAA (DE) | 2019-07-18 | — | — | US | disclosed |
| US-20190216714-A1 | IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION | HENKEL AG & CO. KGAA (DE) | 2019-07-18 | — | — | US | disclosed |
| US-8115002-B2 | Preparation of substituted morphinan-6-ones and salts and intermediates thereof | MALLINCKRODT LLC (US) | 2012-02-14 | — | — | US | disclosed |
| EP-2099764-B1 | PREPARATION OF SUBSTITUTED MORPHINAN-6-ONES AND SALTS AND INTERMEDIATES THEREOF | MALLINCKRODT INC (US) | 2011-07-27 | — | — | EP | disclosed |
| US-20100048906-A1 | Preparation of Substituted Morphinan-6-Ones and Salts and Intermediates Thereof | MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) | 2010-02-25 | — | — | US | disclosed |
| EP-2099764-A1 | PREPARATION OF SUBSTITUTED MORPHINAN-6-ONES AND SALTS AND INTERMEDIATES THEREOF | Mallinckrodt Inc. (US) | 2009-09-16 | — | — | EP | disclosed |
| CN-101516854-A | Preparation of substituted morphinan-6-ones and salts and intermediates thereof | MALLINCKRODT INC (US) | 2009-08-26 | — | — | CN | disclosed |
| WO-2008036172-A1 | PREPARATION OF SUBSTITUTED MORPHINAN-6-ONES AND SALTS AND INTERMEDIATES THEREOF | MALLINCKRODT INC. (US) | 2008-03-27 | — | — | WO | disclosed |
| US-4334117-A | DIMERIZATION OF BUTADIENE/1,3-/ AND ISOPRENE | KURARAY CO., LTD. (JP) | 1982-06-08 | — | — | US | disclosed |