⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10020968 | 0.70 | — | — | |
| SCHEMBL22932726 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL12217105 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL12147343 | 0.68 | — | — | |
| SCHEMBL12727633 | 0.65 | — | — | |
| SCHEMBL12147346 | 0.64 | PIK3CD (0.31) | — | |
| SCHEMBL18881107 | 0.64 | — | — | |
| SCHEMBL20417329 | 0.64 | — | — | |
| SCHEMBL12826994 | 0.64 | — | — | |
| SCHEMBL18467370 | 0.63 | PIK3CD (0.34) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220411410-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2022-12-29 | — | — | US | disclosed |
| US-11384048-B2 | Aromatic vinyl or aromatic ethyl derivative, preparation method therefor, intermediate, pharmaceutical composition, and application | GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) | 2022-07-12 | — | — | US | disclosed |
| US-20210061755-A1 | AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION | GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) | 2021-03-04 | — | — | US | disclosed |
| US-9066947-B2 | Indolyl-substituted pyrazino[1,2-b]isoquinolines for cancer treatment | EVEREST BIOSCIENCES, INC. (US) | 2015-06-30 | — | — | US | disclosed |
| US-20140235644-A1 | INDOLYL-SUBSTITUTED PYRAZINO-QUINOLINES AND THEIR USE FOR THE TREATMENT OF CANCER | EVEREST BIOSCIENCES, INC. (US) | 2014-08-21 | — | — | US | disclosed |
| US-8754086-B2 | Indolyl-substituted pyrazino-quinolines and their use for the treatment of cancer | EVEREST BIOSCIENCES, INC. (US) | 2014-06-17 | — | — | US | disclosed |
| US-20120157461-A1 | Indolyl-Substituted Pyrazino-Quinolines and Their Use for the Treatment of Cancer | ONKILL AB (SE) | 2012-06-21 | — | — | US | disclosed |
| US-20100249113-A1 | MODULATORS OF ATP BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-09-30 | — | — | US | disclosed |