⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28779486 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL28779484 | 0.79 | ALDH1A1 (0.54) | — | |
| SCHEMBL2204826 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL962321 | 0.77 | GLO1 (0.47) | — | |
| SCHEMBL28598310 | 0.76 | GAA (0.56) | — | |
| SCHEMBL28779472 | 0.76 | TSHR (0.55) | — | |
| SCHEMBL28779495 | 0.76 | TSHR (0.59) | — | |
| SCHEMBL28779475 | 0.76 | TSHR (0.59) | — | |
| SCHEMBL2927909 | 0.74 | — | — | |
| SCHEMBL1372367 | 0.74 | SOAT1 (0.42) | — |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103193662-A | Method for preparing Beta-amino ester through copper-catalyzed three-component coupling reaction | UNIV BEIJING SCIENCE & TECH | 2013-07-10 | — | — | CN | claimed |
| CN-102295582-A | Preparation method of alpha, beta-diamino acid derivatives with alpha-quaternary carbon | — | 2011-12-28 | — | — | CN | claimed |
| US-20260049089-A1 | KRAS INHIBITOR COMPOUND | SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) | 2026-02-19 | — | — | US | disclosed |
| US-12502376-B2 | Pyrano[4,3-b]indole derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2025-12-23 | — | — | US | disclosed |
| CN-114591217-B | Preparation method of 6, 6-dimethyl-3-azabicyclo- [3.1.0] -hexane and lactone intermediate thereof | 浙江新和成股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| WO-2024022471-A1 | KRAS INHIBITOR COMPOUND | 上海湃隆生物科技有限公司 | 2024-02-01 | — | — | WO | disclosed |
| US-20230339915-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED | 2023-10-26 | — | — | US | disclosed |
| US-11766433-B2 | Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2023-09-26 | — | — | US | disclosed |
| US-20230157999-A1 | PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2023-05-25 | — | — | US | disclosed |
| CN-115916749-A | Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators | 弗特克斯药品有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-115768772-A | Pyrano [4,3-b ] L indole derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) | 弗特克斯药品有限公司 | 2023-03-07 | — | — | CN | disclosed |
| US-20100197683-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-08-05 | — | — | US | disclosed |
| WO-2010087515-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-05 | — | — | WO | disclosed |
| US-20100029740-A1 | AZABICYCLIC COMPOUNDS AS SEROTONIN, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS | BONANOMI GIORGIO | 2010-02-04 | — | — | US | disclosed |
| US-20100029740-A1 | AZABICYCLIC COMPOUNDS AS SEROTONIN, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS | BONANOMI GIORGIO | 2010-02-04 | — | — | US | disclosed |
| EP-2094657-A1 | AZABICYCLIC COMPOUNDS AS SEROTONINE, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS | Glaxo Group Limited (GB) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008074716-A1 | AZABICYCLIC COMPOUNDS AS SEROTONINE, DOPAMINE AND NOREPINEPHRINE RE-UPTAKE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |
| EP-0397175-B1 | Substituted pyrrolizine compounds and theit use as pharmaceuticals | DANNHARDT GERD PROF DR (DE) | 1993-12-08 | — | — | EP | disclosed |
| US-5260451-A | Enzyme inhibitors | MERCKLE GMBH (DE) | 1993-11-09 | — | — | US | disclosed |
| EP-0397175-A1 | Substituted pyrrolizine compounds and theit use as pharmaceuticals | Dannhardt, Gerd, Prof.Dr. (DE) | 1990-11-14 | — | — | EP | disclosed |