⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13069316 | 0.83 | KDM4E (0.44) | — | |
| SCHEMBL3606048 | 0.79 | — | — | |
| SCHEMBL10580220 | 0.78 | KCNH2 (0.53) | — | |
| SCHEMBL10852741 | 0.77 | — | — | |
| SCHEMBL13028800 | 0.77 | ESR1 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL28095154 | 0.77 | KCNH2 (0.52) | — | |
| SCHEMBL830187 | 0.74 | CYP1A2 (0.37) | — | |
| SCHEMBL30481675 | 0.74 | — | — | |
| SCHEMBL805491 | 0.74 | — | — | |
| SCHEMBL25987002 | 0.74 | SORD (0.47) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022272060-A1 | EP2 ANTAGONIST COMPOUNDS | RESERVOIR NEUROSCIENCE, INC. (US) | 2022-12-29 | — | — | WO | disclosed |
| US-20210230123-A1 | INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE | TES PHARMA S.R.L. (IT) | 2021-07-29 | — | — | US | disclosed |
| US-20180134667-A1 | INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE | TES PHARMA S.R.L. (IT) | 2018-05-17 | — | — | US | disclosed |
| US-8440666-B2 | Pyridazinone compounds and P2X7 receptor inhibitors | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2013-05-14 | — | — | US | disclosed |
| US-20120095001-A1 | SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES | MERCK SHARP & DOHME CORP. (US) | 2012-04-19 | — | — | US | disclosed |