⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3648371 | 0.76 | — | — | |
| SCHEMBL990343 | 0.73 | GABRP (0.42) | — | |
| SCHEMBL8304543 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL8306668 | 0.64 | GABRP (0.96) | — | |
| SCHEMBL5966268 | 0.64 | — | — | |
| SCHEMBL2228983 | 0.64 | — | — | |
| SCHEMBL301156 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL11536308 | 0.61 | — | — | |
| Benzene SCHEMBL29120356 | 0.60 | TSHR (0.55) | — | |
| Cyclopropane Carboxylic Acid SCHEMBL27805840 | 0.60 | TSHR (0.55) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11078153-B2 | 2-difluoro substituted 4-aminocyclopentanecarboxylic acids as inhibitors of gamma-aminobutyric acid aminotransferase and human ornithine aminotransferase | NORTHWESTERN UNIVERSITY (US) | 2021-08-03 | — | — | US | disclosed |
| US-20200317606-A1 | 2-DIFLUORO SUBSTITUTED 4-AMINOCYCLOPENTANECARBOXYLIC ACIDS AS INHIBITORS OF GAMMA-AMINOBUTYRIC ACID AMINOTRANSFERASE AND HUMAN ORNITHINE AMINOTRANSFERASE | NORTHWESTERN UNIVERSITY (US) | 2020-10-08 | — | — | US | disclosed |
| CN-101431996-A | Inhibitors of protein prenyltransferases | UNIV CALIFORNIA (US) | 2009-05-13 | — | — | CN | disclosed |