⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4132134 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL4126681 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4126608 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4125874 | 0.74 | — | — | |
| SCHEMBL16338749 | 0.68 | — | — | |
| SCHEMBL4126665 | 0.65 | HRH2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4132696 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL4120481 | 0.61 | — | — | |
| SCHEMBL4345504 | 0.56 | HRH4 (0.42) | — | |
| SCHEMBL10485026 | 0.52 | CHUK (0.40) | — |
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-8927555-B2 | Thieno- and furo-pyrimidine modulators of the histamine H4 receptor | JANSSEN PHARMACEUTICA, NV (BE) | 2015-01-06 | — | — | US | claimed |