⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16979601 | 0.96 | — | — | |
| SCHEMBL16979599 | 0.96 | — | — | |
| SCHEMBL16979615 | 0.88 | GAA (0.32) | — | |
| SCHEMBL16979597 | 0.88 | — | — | |
| SCHEMBL16979595 | 0.87 | — | — | |
| SCHEMBL16979620 | 0.87 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL16971101 | 0.87 | MAPT (0.32) | — | |
| SCHEMBL16971159 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL16971270 | 0.83 | SYK (0.32) | — | |
| SCHEMBL16979598 | 0.83 | KDM4E (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9937139-B2 | β-substituted γ-amino acids and analogs as chemotherapeutic agents | QUADRIGA BIOSCIENCES, INC. (US) | 2018-04-10 | — | — | US | disclosed |
| US-20170246135-A1 | BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2017-08-31 | — | — | US | disclosed |
| US-9682921-B2 | β-substituted γ-amino acids and analogs as chemotherapeutic agents | QUADRIGA BIOSCIENCES, INC. (US) | 2017-06-20 | — | — | US | disclosed |
| US-20160289168-A1 | BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2016-10-06 | — | — | US | disclosed |
| US-9394236-B2 | β-substituted γ-amino acids and analogs as chemotherapeutic agents | QUADRIGA BIOSCIENCES, INC. (US) | 2016-07-19 | — | — | US | disclosed |
| US-20150218085-A1 | BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2015-08-06 | — | — | US | disclosed |