⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2808754 | 0.94 | TDP1 (0.58) | — | |
| SCHEMBL4734639 | 0.84 | TDP1 (0.55) | — | |
| Ammonia Solution, Strong SCHEMBL4734645 | 0.82 | TDP1 (0.46) | — | |
| Nitrilotriacetic Acid SCHEMBL19893757 | 0.81 | TDP1 (0.58) | — | |
| Nitrilotriacetic Acid SCHEMBL4015790 | 0.81 | GLRA1 (0.62) | — | |
| Nitrilotriacetic Acid SCHEMBL8463064 | 0.79 | TDP1 (0.73) | — | |
| Nitrilotriacetic Acid SCHEMBL670055 | 0.79 | TDP1 (0.73) | — | |
| Nitrilotriacetic Acid SCHEMBL20409 | 0.79 | TDP1 (0.73) | — | |
| Nitrilotriacetic Acid SCHEMBL9771757 | 0.79 | TDP1 (0.73) | — | |
| Nitrilotriacetic Acid SCHEMBL28099142 | 0.79 | GLRA1 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008077194-A1 | RECEPTOR AGONISTS | XENOME LTD (AU) | 2008-07-03 | — | — | WO | disclosed |
| US-4728542-A | POLYURETHANES; WATER VAPOR PERMEABLE COATINGS | BAYER AKTIENGESELLSCHAFT (DE) | 1988-03-01 | — | — | US | disclosed |