⚠ 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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL104208 | 0.97 | — | — | |
| Butyric Acid SCHEMBL17136011 | 0.97 | FFAR3 (0.87) | — | |
| Butyric Acid SCHEMBL31322063 | 0.97 | FFAR3 (0.87) | — | |
| Butyric Acid SCHEMBL27930075 | 0.94 | FFAR3 (0.81) | — | |
| Butyric Acid SCHEMBL358880 | 0.94 | — | — | |
| Butyric Acid SCHEMBL28462096 | 0.94 | FFAR3 (0.93) | — | |
| Butyric Acid SCHEMBL27823458 | 0.94 | FFAR3 (0.93) | — | |
| Butyric Acid SCHEMBL7879075 | 0.94 | FFAR3 (0.93) | — | |
| Butyric Acid SCHEMBL1064982 | 0.94 | — | — | |
| Butyric Acid SCHEMBL19065005 | 0.91 | FFAR3 (0.77) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |