⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7772509 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL27323670 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL25186088 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL19842291 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL8372151 | 0.78 | TSHR (0.56) | — | |
| SCHEMBL5209273 | 0.78 | TRPA1 (0.41) | — | |
| SCHEMBL7177420 | 0.76 | — | — | |
| SCHEMBL146588 | 0.76 | — | — | |
| SCHEMBL146587 | 0.76 | — | — | |
| SCHEMBL5104966 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070275956-A1 | Novel Heterocyclic Compounds | CADILA HEALTHCARE LIMITED (IN) | 2007-11-29 | — | — | US | disclosed |
| WO-2005019224-A2 | NOVEL ANTIINFECTIVE COMPOUNDS | CADILA HEALTHCARE LIMITED (IN) | 2005-03-03 | — | — | WO | disclosed |
| EP-0111685-A1 | Benzazoles as histamine H2 receptor antagonists | Ikeda Mohando Co., Ltd. (JP) | 1984-06-27 | — | — | EP | disclosed |