⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24345245 | 0.78 | — | — | |
| SCHEMBL24330730 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL16406998 | 0.60 | ALOX15 (0.35) | — | |
| SCHEMBL16525747 | 0.60 | MEN1 (0.31) | — | |
| Bromide SCHEMBL31603058 | 0.59 | SLC22A3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL31603195 | 0.59 | MEN1 (0.31) | — | |
| Iodide SCHEMBL17911357 | 0.59 | MEN1 (0.33) | — | |
| Bromide SCHEMBL4384622 | 0.58 | KMT2A (0.33) | — | |
| SCHEMBL18844450 | 0.57 | CA2 (0.38) | — | |
| Bromide SCHEMBL9328086 | 0.57 | KMT2A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220118435-A1 | SYNTHESIS OF ALKYNONES VIA CARBONYLATIVE SONOGASHIRA COUPLING REACTIONS CATALYZED BY PD(II)-N-HETEROCYCLIC CARBENE-PYRIDINE COMPLEXES | KING FAHD UNIVERSITY OF PETROLEUM & MINERALS (SA) | 2022-04-21 | — | — | US | disclosed |