⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5348678 | 0.77 | DAO (0.35) | — | |
| Hydrochloric Acid SCHEMBL5409217 | 0.74 | DAO (0.33) | — | |
| SCHEMBL19596 | 0.61 | — | — | |
| SCHEMBL10141196 | 0.61 | — | — | |
| SCHEMBL5801028 | 0.61 | — | — | |
| SCHEMBL22163881 | 0.61 | — | — | |
| SCHEMBL10141206 | 0.61 | — | — | |
| SCHEMBL31199210 | 0.61 | — | — | |
| SCHEMBL145329 | 0.61 | — | — | |
| Bromide SCHEMBL17747828 | 0.59 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0098977-A1 | Catalyst system containing an anionic initiator and a phosphine oxide modifier and process for production of polymers having increased 1,2 microstructure | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1984-01-25 | — | — | EP | claimed |
| CN-110590788-B | 2-acyl-9H-pyrrolo [1,2-a]Synthesis method of indole compound | 湖南理工学院 | 2021-12-10 | — | — | CN | disclosed |
| CN-110698483-A | Synthesis of 2-sulfonyl-9H-pyrrolo [1,2-a ] indole compound | 湖南理工学院 | 2020-01-17 | — | — | CN | disclosed |
| CN-110590788-A | 2-acyl-9H-pyrrolo [1,2-a]Synthesis method of indole compound | 湖南理工学院 | 2019-12-20 | — | — | CN | disclosed |
| CN-102718775-B | As the Macrocyclic quinazoline derivatives of antiproliferative | JANSSEN PHARMACEUTICA N.V. (BE) | 2016-02-17 | — | — | CN | disclosed |
| CN-102718775-A | Macrocyclic quinazoline derivatives as antiproliferative agents | JANSSEN PHARMACEUTICA NV | 2012-10-10 | — | — | CN | disclosed |
| WO-2003000251-A1 | NOVEL IDOLINONES AND USES THEREOF | ARIAD PHARMACEUTICALS, INC. (US) | 2003-01-03 | — | — | WO | disclosed |