⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13342150 | 0.60 | — | — | |
| SCHEMBL11474894 | 0.59 | — | — | |
| SCHEMBL9636436 | 0.58 | — | — | |
| SCHEMBL11549467 | 0.56 | — | — | |
| SCHEMBL17710635 | 0.56 | — | — | |
| SCHEMBL28808841 | 0.53 | — | — | |
| SCHEMBL29720734 | 0.53 | — | — | |
| SCHEMBL28608010 | 0.53 | — | — | |
| SCHEMBL28634287 | 0.49 | — | — | |
| SCHEMBL28541827 | 0.49 | — | — |
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-4144249-A | 2,2,6,6-TETRAMETHYL-BENZOBISDIOXOLE, USEFUL IN PERFUMES | S.A. TEXACO BELGIUM N.V. (BE) | 1979-03-13 | — | — | US | disclosed |
| US-4092331-A | FROM A POLYHYDRIC PHENOL CONTAINING TWO PAIR ORTHO HYDROXY GROUPS AND A KETONE OR ACETAL, LEWIS ACID CATALYST | S.A. TEXACO BELGIUM N.V. (BE) | 1978-05-30 | — | — | US | disclosed |