⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23144983 | 1.00 | — | — | |
| Gabaculine SCHEMBL6237522 | 0.87 | OAT (1.00) | — | |
| Gabaculine SCHEMBL22691967 | 0.87 | OAT (1.00) | — | |
| Gabaculine SCHEMBL23622815 | 0.87 | OAT (1.00) | — | |
| Gabaculine SCHEMBL23142324 | 0.85 | OAT (0.96) | — | |
| SCHEMBL23299699 | 0.75 | OAT (0.52) | — | |
| SCHEMBL23299697 | 0.75 | OAT (0.52) | — | |
| SCHEMBL21232956 | 0.74 | — | — | |
| SCHEMBL23781995 | 0.74 | — | — | |
| SCHEMBL29615783 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112770739-B | Use of (S) -3-amino-4- (difluoromethylene) cyclopent-1-ene-1-carboxylic acid and related compounds for the treatment of developmental disorders | 奥维德医疗公司 | 2023-12-12 | — | — | CN | disclosed |