⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8450139 | 0.81 | — | — | |
| SCHEMBL19135123 | 0.77 | ESR1 (0.34) | — | |
| SCHEMBL805041 | 0.75 | — | — | |
| SCHEMBL3286549 | 0.73 | — | — | |
| SCHEMBL20320618 | 0.71 | — | — | |
| SCHEMBL20320474 | 0.70 | NOS3 (0.33) | — | |
| SCHEMBL22367369 | 0.68 | — | — | |
| SCHEMBL22367354 | 0.67 | AGBL2 (0.36) | — | |
| SCHEMBL280038 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL22905297 | 0.65 | GRIN1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9708272-B2 | Inhibitors of α-amino-β-carboxymuconic acid semialdehyde decarboxylase | TES PHARMA S.R.L. (IT) | 2017-07-18 | — | — | US | disclosed |
| US-20160060226-A1 | INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE | TES PHARMA S.R.L. (IT) | 2016-03-03 | — | — | US | disclosed |