⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9733225 | 0.74 | CA2 (0.35) | — | |
| SCHEMBL12438051 | 0.74 | CA2 (0.35) | — | |
| SCHEMBL7378364 | 0.71 | — | — | |
| SCHEMBL8557313 | 0.69 | — | — | |
| SCHEMBL3952285 | 0.69 | — | — | |
| SCHEMBL15603817 | 0.69 | — | — | |
| SCHEMBL17295424 | 0.69 | — | — | |
| SCHEMBL7128249 | 0.67 | CA2 (0.30) | — | |
| SCHEMBL24895910 | 0.65 | — | — | |
| SCHEMBL4158778 | 0.65 | ATR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023091438-A1 | CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS | MERCK SHARP & DOHME LLC (US) | 2023-05-25 | — | — | WO | disclosed |
| WO-2023023631-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2023-02-23 | — | — | WO | disclosed |
| US-7495009-B2 | Imidazopyridine derivatives as melancortin receptor agonists | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2009-02-24 | — | — | US | disclosed |