⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10586742 | 0.74 | — | — | |
| SCHEMBL133684 | 0.74 | — | — | |
| SCHEMBL974860 | 0.72 | — | — | |
| SCHEMBL28271376 | 0.72 | — | — | |
| SCHEMBL10669973 | 0.72 | — | — | |
| SCHEMBL8784336 | 0.69 | CHRM1 (0.37) | — | |
| SCHEMBL13668427 | 0.67 | TDP1 (0.44) | — | |
| SCHEMBL29124840 | 0.67 | — | — | |
| SCHEMBL8518141 | 0.65 | TDP1 (0.30) | — | |
| SCHEMBL9861585 | 0.65 | GRIK1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7452693-B2 | Discrete acyltransferases associated with type I polyketide synthases and methods of use | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-11-18 | — | — | US | disclosed |
| US-20080124757-A1 | DISCRETE ACYLTRANSFERASES ASSOCIATED WITH TYPE I POLYKETIDE SYNTHASES AND METHODS OF USE | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2008-05-29 | — | — | US | disclosed |
| US-7153667-B2 | Discrete acyltransferases associated with type I polyketide synthases and methods of use | WISCONSIN ALUMNI RESEARCH FOUNDATION (WARF) (US) | 2006-12-26 | — | — | US | disclosed |
| US-20030175888-A1 | Discrete acyltransferases associated with type I polyketide synthases and methods of use | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2003-09-18 | — | — | US | disclosed |