⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22999280 | 0.74 | — | — | |
| SCHEMBL4856094 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL17283033 | 0.67 | — | — | |
| SCHEMBL7460628 | 0.67 | — | — | |
| SCHEMBL127420 | 0.61 | — | — | |
| Fluoride SCHEMBL28811646 | 0.60 | — | — | |
| SCHEMBL637106 | 0.56 | — | — | |
| SCHEMBL1512171 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL9251570 | 0.53 | — | — | |
| Isobutyraldehyde SCHEMBL2635854 | 0.53 | ADH1B (0.38) | — |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-0265126-A2 | Process for the preparation of fused pyridine compounds | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1988-04-27 | — | — | EP | disclosed |
| US-4239901-A | ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1980-12-16 | — | — | US | disclosed |