⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1509758 | 0.89 | CTSS (0.33) | — | |
| Phosphoric Acid SCHEMBL4366917 | 0.89 | ANPEP (0.34) | — | |
| Malonic Acid SCHEMBL6133405 | 0.87 | LDHA (0.36) | — | |
| SCHEMBL11336671 | 0.78 | — | — | |
| SCHEMBL5231441 | 0.78 | — | — | |
| Diisopropanolamine SCHEMBL10618901 | 0.76 | — | — | |
| Diisopropanolamine SCHEMBL22774 | 0.76 | — | — | |
| Diisopropanolamine SCHEMBL6858463 | 0.74 | TSHR (0.41) | — | |
| Diisopropanolamine SCHEMBL3362609 | 0.74 | ALDH1A1 (0.43) | — | |
| Diisopropanolamine SCHEMBL7592152 | 0.74 | TSHR (0.41) | — |
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-1996030334-A1 | AN AMINO NITRILE INTERMEDIATE FOR THE PREPARATION OF 2-HYDROXYPROPYL IMINODIACETIC ACID | THE DOW CHEMICAL COMPANY (US) | 1996-10-03 | — | — | WO | disclosed |
| US-5488130-A | NITRILE INTERMEDIATE FOR REACTION OF WATER | THE DOW CHEMICAL COMPANY (US) | 1996-01-30 | — | — | US | disclosed |