⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5682844 | 0.74 | — | — | |
| SCHEMBL9862266 | 0.72 | PTGS1 (0.30) | — | |
| SCHEMBL796441 | 0.71 | KMT2A (0.48) | — | |
| SCHEMBL5683279 | 0.71 | — | — | |
| SCHEMBL11156614 | 0.71 | LMNA (0.37) | — | |
| SCHEMBL11151545 | 0.71 | LMNA (0.37) | — | |
| SCHEMBL7116443 | 0.71 | LMNA (0.37) | — | |
| SCHEMBL8416311 | 0.71 | — | — | |
| SCHEMBL5054113 | 0.71 | — | — | |
| SCHEMBL26814945 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1670778-A1 | REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS | Schering Aktiengesellschaft (DE) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005035518-A1 | REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-04-21 | — | — | WO | disclosed |
| US-20030144541-A1 | Process for preparing alpha-halogenated retones | RHODIA CHIMIE (FR) | 2003-07-31 | — | — | US | disclosed |
| EP-1250303-A1 | METHOD FOR PREPARING ALPHA-HALOGENATED KETONES | RHODIA CHIMIE (FR) | 2002-10-23 | — | — | EP | disclosed |
| WO-2001055067-A1 | METHOD FOR PREPARING ALPHA-HALOGENATED KETONES | RHODIA CHIMIE (FR) | 2001-08-02 | — | — | WO | disclosed |