⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL5027721 | 0.80 | — | — | |
| Phosphine SCHEMBL7200715 | 0.80 | — | — | |
| Methyl Alcohol SCHEMBL27301818 | 0.78 | CA1 (0.41) | — | |
| SCHEMBL7196734 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL6139750 | 0.73 | CA1 (0.38) | — | |
| Acetone SCHEMBL20186006 | 0.71 | CA1 (0.36) | — | |
| Acetonitrile SCHEMBL8083265 | 0.71 | ALDH1A1 (0.31) | — | |
| Acetaldehyde SCHEMBL6632642 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL6853752 | 0.70 | — | — | |
| Acetic Acid SCHEMBL17964267 | 0.70 | PTGS1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1408040-A1 | Tricyclic fused heterocyclic compounds as CRFantagonists | Eisai Co., Ltd. (JP) | 2004-04-14 | — | — | EP | disclosed |