⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11616816 | 0.68 | — | — | |
| SCHEMBL11611578 | 0.68 | — | — | |
| SCHEMBL11615136 | 0.68 | — | — | |
| SCHEMBL11615558 | 0.64 | PRKACA (0.33) | — | |
| SCHEMBL5028263 | 0.55 | — | — | |
| SCHEMBL11614870 | 0.55 | HRH4 (0.55) | — | |
| SCHEMBL69879 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL11614744 | 0.54 | HRH4 (0.53) | — | |
| Hydrochloric Acid SCHEMBL11612119 | 0.54 | HRH4 (0.53) | — | |
| SCHEMBL6716467 | 0.50 | ESR1 (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4100349-A | ANTIHISTAMINES | METCALF BRIAN WALTER | 1978-07-11 | — | — | US | disclosed |