⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18293415 | 0.70 | — | — | |
| SCHEMBL298185 | 0.67 | CRHBP (0.34) | — | |
| SCHEMBL9491701 | 0.66 | — | — | |
| SCHEMBL7626552 | 0.63 | — | — | |
| SCHEMBL10960169 | 0.61 | — | — | |
| SCHEMBL9683353 | 0.60 | HTT (0.30) | — | |
| SCHEMBL385229 | 0.60 | CA12 (0.36) | — | |
| SCHEMBL1723728 | 0.60 | — | — | |
| SCHEMBL8855767 | 0.59 | PARP10 (0.30) | — | |
| SCHEMBL11831221 | 0.58 | ACE (0.36) | — |
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-0772770-B2 | DETERMINING BIODEGRADABILITY OF IMINODIACETIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF | DOW CHEMICAL CO (US) | 2004-02-11 | — | — | EP | disclosed |
| EP-0772770-B1 | DETERMINING BIODEGRADABILITY OF IMINODIACETIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF | DOW CHEMICAL CO (US) | 2000-04-05 | — | — | EP | disclosed |
| EP-0971230-A1 | Determining biodegradability of iminodiacetic acid derivatives, degradable chelants, uses and compositions thereof | THE DOW CHEMICAL COMPANY (US) | 2000-01-12 | — | — | EP | disclosed |