⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8931389 | 1.00 | — | — | |
| SCHEMBL18740462 | 1.00 | — | — | |
| SCHEMBL8922105 | 0.95 | ALDH1A1 (0.30) | — | |
| SCHEMBL4421790 | 0.83 | — | — | |
| SCHEMBL6024965 | 0.83 | — | — | |
| SCHEMBL4421794 | 0.83 | — | — | |
| SCHEMBL15823164 | 0.81 | — | — | |
| SCHEMBL3003480 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL29885718 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL29886257 | 0.77 | ALDH1A1 (0.44) | — |
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-10766920-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2020-09-08 | — | — | US | disclosed |
| US-20200024303-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2020-01-23 | — | — | US | disclosed |
| US-10344048-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2019-07-09 | — | — | US | disclosed |
| US-20170088580-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2017-03-30 | — | — | US | disclosed |
| US-9493503-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| EP-2523966-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Suzhou Neupharma Co., Ltd (CN) | 2012-11-21 | — | — | EP | disclosed |
| US-20120196842-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2012-08-02 | — | — | US | disclosed |
| WO-2011085641-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | SUZHOU NEUPHARMA CO., LTD. (CN) | 2011-07-21 | — | — | WO | disclosed |