⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8082743 | 0.74 | — | — | |
| SCHEMBL5138449 | 0.72 | — | — | |
| SCHEMBL3132605 | 0.69 | — | — | |
| SCHEMBL29196929 | 0.66 | — | — | |
| SCHEMBL460545 | 0.59 | CYP1A2 (0.31) | — | |
| SCHEMBL29240285 | 0.59 | — | — | |
| SCHEMBL14742396 | 0.59 | — | — | |
| SCHEMBL3401203 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL29133074 | 0.56 | TSHR (0.47) | — | |
| SCHEMBL6290262 | 0.55 | CFTR (0.35) | — |
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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11289660-B2 | Heterocyclic compound and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2022-03-29 | — | — | US | claimed |
| EP-3530658-A2 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Display Co., Ltd. (KR) | 2019-08-28 | — | — | EP | claimed |
| US-20190237679-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2019-08-01 | — | — | US | claimed |
| US-20110144074-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | US | claimed |
| EP-1740171-B1 | INDOL-1-YL-ACETIC ACID DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-06-09 | — | — | EP | claimed |
| US-20090215736-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2009-08-27 | — | — | US | claimed |
| US-7442790-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2008-10-28 | — | — | US | claimed |
| EP-1923386-A2 | Carbamate caspase inhibitors and uses thereof | Vertex Pharmceuticals Incorporated (US) | 2008-05-21 | — | — | EP | claimed |
| EP-1268425-B1 | CARBAMATE CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMA (US) | 2008-01-23 | — | — | EP | claimed |
| US-20080015172-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-17 | — | — | US | claimed |
| US-20040053920-A1 | Carbamate caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-03-18 | — | — | US | claimed |
| EP-1392289-A2 | CASPASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2004-03-03 | — | — | EP | claimed |
| US-20030092703-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-15 | — | — | US | claimed |
| EP-1268425-A2 | CARBAMATE CASPASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2003-01-02 | — | — | EP | claimed |
| WO-2002094263-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-28 | — | — | WO | claimed |
| US-20020028803-A1 | Carbamate caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2002-03-07 | — | — | US | claimed |
| WO-2001072707-A2 | CARBAMATE CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-10-04 | — | — | WO | claimed |
| US-6255323-B1 | Cyanoguanidine compounds | SHIONOGI BIORESEARCH CORP. | 2001-07-03 | — | — | US | claimed |
| WO-2000061561-A1 | CYANOGUANIDINE COMPOUNDS | SHIONOGI BIORESEARCH CORP. (US) | 2000-10-19 | — | — | WO | claimed |
| WO-2000061559-A1 | N-SUBSTITUTED CYANOGUANIDINE COMPOUNDS | SHIONOGI BIORESEARCH CORP. (US) | 2000-10-19 | — | — | WO | claimed |