⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29151537 | 0.78 | TDP1 (0.39) | — | |
| SCHEMBL108580 | 0.76 | — | — | |
| SCHEMBL5439216 | 0.76 | — | — | |
| SCHEMBL7196388 | 0.75 | TDP1 (0.41) | — | |
| SCHEMBL24663452 | 0.74 | — | — | |
| SCHEMBL13817740 | 0.74 | TDP1 (0.45) | — | |
| SCHEMBL20838317 | 0.74 | TDP1 (0.45) | — | |
| SCHEMBL9246597 | 0.74 | — | — | |
| Chloroform SCHEMBL28140383 | 0.74 | TDP1 (0.71) | — | |
| SCHEMBL619312 | 0.73 | TDP1 (0.69) | — |
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-5874600-A | HYDROGENATION OF AN ALKYL 3-OXO-2-ALKYLCYCLOPENTANEACETIC ACID USING A CATALYST OF A RUTHENIUM COMPLEX REACTED WITH A BIDENTATE DIPHOSPHINE LIGAND AND A NONCOORDINATING ACID; STEREOSPECIFIC; PERFUMES; HEDRONE? | FIRMENICH SA (CH) | 1999-02-23 | — | — | US | disclosed |