⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2248136 | 1.00 | — | — | |
| SCHEMBL2250057 | 1.00 | — | — | |
| SCHEMBL16052917 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL11664018 | 0.75 | — | — | |
| SCHEMBL16052918 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL2162417 | 0.72 | — | — | |
| SCHEMBL2162415 | 0.72 | — | — | |
| SCHEMBL19444642 | 0.72 | — | — | |
| SCHEMBL10544778 | 0.72 | — | — | |
| SCHEMBL10593600 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160355542-A1 | UNIVERSAL METHYLATION PROFILING METHODS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-12-08 | — | — | US | disclosed |
| US-20110207835-A1 | Alpha, Beta, Unsaturated Nitriles as Fragrances | GIVAUDAN SA (CH) | 2011-08-25 | — | — | US | disclosed |
| EP-2079436-B1 | ALPHA, BETA, UNSATURATED NITRILES AS FRAGRANCES | GIVAUDAN SA (CH) | 2010-11-10 | — | — | EP | disclosed |
| EP-2079436-A1 | ALPHA, BETA, UNSATURATED NITRILES AS FRAGRANCES | Givaudan SA (CH) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008037105-A1 | ALPHA, BETA, UNSATURATED NITRILES AS FRAGRANCES | GIVAUDAN SA (CH) | 2008-04-03 | — | — | WO | disclosed |