⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11034594 | 0.86 | FFAR3 (0.30) | — | |
| SCHEMBL7021874 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL3220095 | 0.78 | — | — | |
| SCHEMBL9293329 | 0.78 | — | — | |
| SCHEMBL6428112 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL8465970 | 0.75 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL9219890 | 0.73 | TSHR (0.37) | — | |
| Water SCHEMBL11566367 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL7040799 | 0.71 | — | — | |
| SCHEMBL6141897 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109456210-B | Hypocrellin peri-and 2-amino-substituted derivative and preparation method and application thereof | 中国科学院理化技术研究所 | 2020-09-25 | — | — | CN | disclosed |
| EP-1540126-A2 | SHALE HYDRATION INHIBITION AGENT AND METHOD OF USE | M-I L.L.C. (US) | 2005-06-15 | — | — | EP | disclosed |
| US-6857485-B2 | Shale hydration inhibition agent and method of use | M-I LLC (US) | 2005-02-22 | — | — | US | disclosed |
| WO-2004007897-A2 | SHALE HYDRATION INHIBITION AGENT AND METHOD OF USE | M-I L.L.C. (US) | 2004-01-22 | — | — | WO | disclosed |
| US-20030106718-A1 | Shale hydration inhibition agent and method of use | M-I L.L.C. | 2003-06-12 | — | — | US | disclosed |