⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7729587 | 0.95 | XDH (0.34) | — | |
| Bicarbonate SCHEMBL5795371 | 0.87 | MEN1 (0.31) | — | |
| SCHEMBL2699373 | 0.82 | — | — | |
| SCHEMBL2696185 | 0.76 | CYP3A4 (0.31) | — | |
| SCHEMBL22496022 | 0.74 | — | — | |
| SCHEMBL1962061 | 0.71 | — | — | |
| SCHEMBL1485769 | 0.71 | — | — | |
| SCHEMBL2153330 | 0.71 | — | — | |
| SCHEMBL1964307 | 0.71 | — | — | |
| SCHEMBL10859718 | 0.69 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046147-B1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2013-05-01 | — | — | EP | claimed |
| US-20090311403-A1 | Method of Using Organic Compounds | GIVAUDAN SA (CH) | 2009-12-17 | — | — | US | claimed |
| CN-101494999-A | Method for using organic compound | GIVAUDAN SA (CH) | 2009-07-29 | — | — | CN | claimed |
| EP-2046147-A1 | METHOD OF USING ORGANIC COMPOUNDS | Givaudan SA (CH) | 2009-04-15 | — | — | EP | claimed |
| WO-2008011742-A1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2008-01-31 | — | — | WO | claimed |
| 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 |
| CN-101494999-A | Method for using organic compound | GIVAUDAN SA (CH) | 2009-07-29 | — | — | CN | disclosed |
| EP-2046147-A1 | METHOD OF USING ORGANIC COMPOUNDS | Givaudan SA (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2009028284-A1 | PROCESS FOR PRODUCTION OF (R)-2-ALKYLCYCLOPENTANONE AND (R)-δ-LACTONE | T.HASEGAWA CO., LTD. (JP) | 2009-03-05 | — | — | WO | disclosed |
| WO-2008011742-A1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2008-01-31 | — | — | WO | disclosed |