⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6960284 | 0.79 | — | — | |
| Water SCHEMBL8146640 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL2800401 | 0.76 | — | — | |
| SCHEMBL6971061 | 0.75 | — | — | |
| SCHEMBL3848957 | 0.75 | — | — | |
| SCHEMBL2505557 | 0.74 | — | — | |
| SCHEMBL6964150 | 0.73 | — | — | |
| SCHEMBL6964142 | 0.73 | — | — | |
| SCHEMBL26928 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL11311337 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4171244-A | Enzyme-bound-polyidothyronine | SYVA COMPANY (US) | 1979-10-16 | — | — | US | disclosed |
| US-4043872-A | MALATE DEHYDROGENASE, TRIOSE PHOSPHATE ISOMERASE | SYVA COMPANY (US) | 1977-08-23 | — | — | US | disclosed |