⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30464750 | 0.96 | ALDH1A1 (0.42) | — | |
| SCHEMBL6199193 | 0.76 | — | — | |
| SCHEMBL1712301 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL6744991 | 0.73 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL4881214 | 0.73 | — | — | |
| Water SCHEMBL10577029 | 0.73 | — | — | |
| SCHEMBL5705888 | 0.70 | CA1 (0.40) | — | |
| Tetramethylammonium Ion SCHEMBL108419 | 0.70 | — | — | |
| Tetramethylammonium Ion SCHEMBL29047744 | 0.70 | CA1 (0.56) | — | |
| SCHEMBL18189072 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060099660-A1 | Conjugates of biologically active compounds, methods for their preparation and use, formulation and pharmaceutical applications thereof | SYNOVO GMBH (DE) | 2006-05-11 | — | — | US | disclosed |
| 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 |
| EP-0772770-A1 | DETERMINING BIODEGRADABILITY OF IMINODIACETIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF | THE DOW CHEMICAL COMPANY (a Delaware corporation) (US) | 1997-05-14 | — | — | EP | disclosed |
| US-5616497-A | CONTACTING WITH CHELANT COMPRISING DICARBOXYMETHANAMINE COMPOUND | THE DOW CHEMICAL COMPANY (US) | 1997-04-01 | — | — | US | disclosed |
| US-5606512-A | FOR USE AS CHELATING AGENTS | THE DOW CHEMICAL COMPANY (US) | 1997-02-25 | — | — | US | disclosed |