⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058175 | 0.68 | CA2 (0.32) | — | |
| SCHEMBL28496834 | 0.68 | CA2 (0.32) | — | |
| SCHEMBL8314211 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL8314213 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL7832009 | 0.67 | TP53 (0.30) | — | |
| SCHEMBL8558165 | 0.67 | — | — | |
| SCHEMBL8558168 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL30118976 | 0.65 | CA5A (0.35) | — | |
| Formaldehyde SCHEMBL7948653 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL2057271 | 0.64 | ALDH1A1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5389633-A | ANTIASTHMATIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-02-14 | — | — | US | disclosed |
| EP-0620224-A1 | Triazolopyridazine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-10-19 | — | — | EP | disclosed |