⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10189193 | 0.65 | — | — | |
| SCHEMBL17549565 | 0.65 | — | — | |
| SCHEMBL1673094 | 0.62 | — | — | |
| SCHEMBL20767 | 0.62 | — | — | |
| Water SCHEMBL9879556 | 0.62 | ALDH1A1 (0.42) | — | |
| Water SCHEMBL30060781 | 0.62 | — | — | |
| Ethylene Glycol SCHEMBL2307225 | 0.61 | — | — | |
| Monoethanolamine SCHEMBL1330822 | 0.59 | — | — | |
| Ammonia Solution, Strong SCHEMBL995681 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL9393760 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016168553-A1 | DEUTERATED OBETICHOLIC ACID | CONCERT PHARMACEUTICALS, INC. (US) | 2016-10-20 | — | — | WO | disclosed |