⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1334117 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL4237662 | 0.63 | — | — | |
| SCHEMBL24213300 | 0.63 | — | — | |
| SCHEMBL25196318 | 0.62 | CA1 (0.30) | — | |
| SCHEMBL12748335 | 0.59 | — | — | |
| SCHEMBL3097638 | 0.59 | — | — | |
| SCHEMBL3991229 | 0.59 | — | — | |
| SCHEMBL11636220 | 0.58 | — | — | |
| SCHEMBL14315764 | 0.57 | CRBN (0.42) | — | |
| SCHEMBL43230 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2006518717-A | — | — | 2006-08-17 | — | — | JP | claimed |
| EP-1592695-A1 | PYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2005-11-09 | — | — | EP | claimed |
| WO-2004069846-A1 | PYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2004-08-19 | — | — | WO | claimed |