⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11547191 | 0.75 | — | — | |
| SCHEMBL1003533 | 0.73 | — | — | |
| SCHEMBL8065638 | 0.73 | — | — | |
| SCHEMBL12820848 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL17214435 | 0.71 | DGAT1 (0.31) | — | |
| SCHEMBL10107057 | 0.71 | — | — | |
| SCHEMBL24426549 | 0.69 | TSHR (0.34) | — | |
| SCHEMBL15752597 | 0.69 | — | — | |
| SCHEMBL891965 | 0.69 | — | — | |
| SCHEMBL1454433 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9574189-B2 | Enzymatic encoding methods for efficient synthesis of large libraries | NUEVOLUTION A/S (DK) | 2017-02-21 | — | — | US | disclosed |
| WO-2008103382-A1 | METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME | KOZMIN SERGEY (US) | 2008-08-28 | — | — | WO | disclosed |
| US-5767325-A | Preparation of enol ethers | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-16 | — | — | US | disclosed |
| EP-0776879-A1 | Process for the preparation of enol ethers | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-04 | — | — | EP | disclosed |