⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL468475 | 0.78 | — | — | |
| SCHEMBL9321998 | 0.72 | — | — | |
| SCHEMBL16489116 | 0.70 | — | — | |
| SCHEMBL9497654 | 0.67 | — | — | |
| SCHEMBL10623643 | 0.67 | — | — | |
| SCHEMBL11311959 | 0.66 | — | — | |
| SCHEMBL11783238 | 0.65 | CYP1A2 (0.30) | — | |
| SCHEMBL9836228 | 0.64 | TRIM24 (0.32) | — | |
| SCHEMBL9836224 | 0.64 | TRIM24 (0.32) | — | |
| SCHEMBL617958 | 0.64 | — | — |
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-20050065349-A1 | Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems | BUCHWALD STEPHEN L (US) | 2005-03-24 | — | — | US | disclosed |
| US-6465664-B1 | CATALYZED WITH A TRANSITION METAL CATALYST COMPOSED OF A COPPER COMPOUND AND AN ASYMMETRIC LIGAND, SUCH AS A PHOSPHINE, A NUCLEOPHILE AND A BASE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2002-10-15 | — | — | US | disclosed |
| US-4329508-A | Process for making alkyl cyclopentenones | SCM CORPORATION (US) | 1982-05-11 | — | — | US | disclosed |