⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL10914529 | 0.98 | ALDH1A1 (0.50) | — | |
| SCHEMBL140950 | 0.86 | TSHR (0.59) | — | |
| SCHEMBL6130008 | 0.83 | ALDH1A1 (0.57) | — | |
| SCHEMBL423623 | 0.80 | ALDH1A1 (0.54) | — | |
| SCHEMBL4434792 | 0.80 | — | — | |
| SCHEMBL28774305 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL9697427 | 0.78 | — | — | |
| SCHEMBL25435114 | 0.77 | TSHR (0.47) | — | |
| SCHEMBL1357473 | 0.77 | — | — | |
| SCHEMBL4869503 | 0.77 | ALDH1A1 (0.54) | — |
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-9290617-B2 | Method of biomolecule immobilization on polymers using click-type chemistry | Shoichet, Molly S. (CA) | 2016-03-22 | — | — | US | disclosed |
| EP-2046147-B1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2013-05-01 | — | — | EP | disclosed |
| US-20090311403-A1 | Method of Using Organic Compounds | GIVAUDAN SA (CH) | 2009-12-17 | — | — | US | disclosed |
| US-20090297609-A1 | Method of Biomolecule Immobilization On Polymers Using Click-Type Chemistry | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2009-12-03 | — | — | US | disclosed |
| US-20090297609-A1 | Method of Biomolecule Immobilization On Polymers Using Click-Type Chemistry | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2009-12-03 | — | — | US | disclosed |
| EP-2046147-A1 | METHOD OF USING ORGANIC COMPOUNDS | Givaudan SA (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008011742-A1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2008-01-31 | — | — | WO | disclosed |