⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2204763 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL2326236 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL11388793 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL8532189 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL2734736 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL8537115 | 0.97 | ALDH1A1 (0.46) | — | |
| Phosphine SCHEMBL28301587 | 0.95 | ALDH1A1 (0.44) | — | |
| SCHEMBL182402 | 0.92 | — | — | |
| SCHEMBL8121418 | 0.89 | CYP1A2 (0.39) | — | |
| SCHEMBL27349151 | 0.84 | ALDH1A1 (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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118206525-A | Aromatic ring [ d ] thiazepine ketone compound and preparation method thereof | 北京化工大学 | 2024-06-18 | — | — | CN | disclosed |
| EP-2735581-B1 | COMPOSITION AND POLYMER | ASAHI CHEMICAL IND (JP) | 2021-07-14 | — | — | EP | disclosed |
| CN-105754099-B | Composition and polymer | 旭化成株式会社 | 2018-09-18 | — | — | CN | disclosed |
| US-9738757-B2 | Composition and polymer | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2017-08-22 | — | — | US | disclosed |
| US-20160222168-A1 | Composition and Polymer | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2016-08-04 | — | — | US | disclosed |
| US-9334371-B2 | Composition and polymer | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2016-05-10 | — | — | US | disclosed |
| US-9290599-B2 | Functionalized polymers and tires therefrom | BRIDGESTONE CORPORATION (JP) | 2016-03-22 | — | — | US | disclosed |
| EP-2735581-A1 | COMPOSITION AND POLYMER | Asahi Kasei Chemicals Corporation (JP) | 2014-05-28 | — | — | EP | disclosed |
| US-20140121293-A1 | Composition and Polymer | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2014-05-01 | — | — | US | disclosed |
| CN-103502315-A | Composition and polymer | ASAHI KASEI CHEMICALS CORP | 2014-01-08 | — | — | CN | disclosed |
| US-8618223-B2 | Functionalized polymers and tires therefrom | BRIDGESTONE CORPORATION (JP) | 2013-12-31 | — | — | US | disclosed |
| US-20120180937-A1 | FUNCTIONALIZED POLYMERS AND TIRES THEREFROM | BRIDGESTONE CORPORATION (JP) | 2012-07-19 | — | — | US | disclosed |
| US-8158725-B2 | Functionalized polymers and tires therefrom | BRIDGESTONE CORPORATION (JP) | 2012-04-17 | — | — | US | disclosed |
| US-20070055024-A1 | Functionalized polymers and tires therefrom | BRIDGESTONE CORPORATION (JP) | 2007-03-08 | — | — | US | disclosed |