⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13685 | 0.97 | — | — | |
| SCHEMBL27459073 | 0.97 | TSHR (0.71) | — | |
| Propane SCHEMBL28494093 | 0.94 | TSHR (0.67) | — | |
| Hydrochloric Acid SCHEMBL1578829 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL30786381 | 0.94 | TSHR (0.67) | — | |
| SCHEMBL31119221 | 0.94 | — | — | |
| SCHEMBL11241651 | 0.94 | TSHR (0.67) | — | |
| SCHEMBL4652664 | 0.94 | — | — | |
| SCHEMBL4449049 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL5428299 | 0.94 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1177782-C | Reactive coalescents | ��������ķ������ | 2004-12-01 | — | — | CN | disclosed |
| US-6740358-B2 | Reactive coalescents | ROHM AND HAAS COMPANY | 2004-05-25 | — | — | US | disclosed |
| US-20020197407-A1 | Reactive coalescents | SPEECE DAVID GERALD (US) | 2002-12-26 | — | — | US | disclosed |
| US-6451380-B1 | IMPROVED STABILITY WITH INHIBITOR SELECTED FROM 4-METHOXYPHENOL, 4-HYDROXY-2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY, 4-OXO-2,2,6,6-TETRAMETHYL- 1-PIPERIDINYLOXY, AND DI-TERTIARY BUTYL NITROXYL; EMULSION POLYMER; COATINGS | ROHM AND HAAS COMPANY | 2002-09-17 | — | — | US | disclosed |
| CN-1195656-A | Reactive coalescents | ROHM & HAAS (US) | 1998-10-14 | — | — | CN | disclosed |