⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13236674 | 0.80 | AKR1C4 (0.40) | — | |
| SCHEMBL3477821 | 0.79 | TLR4 (0.35) | — | |
| SCHEMBL3214493 | 0.79 | — | — | |
| SCHEMBL7622428 | 0.79 | MEN1 (0.34) | — | |
| SCHEMBL9190051 | 0.77 | TLR4 (0.44) | — | |
| Hydrochloric Acid SCHEMBL6069035 | 0.76 | — | — | |
| SCHEMBL25937413 | 0.76 | LMNA (0.33) | — | |
| SCHEMBL28863019 | 0.76 | KAT6A (0.32) | — | |
| SCHEMBL10385585 | 0.76 | — | — | |
| SCHEMBL2684077 | 0.76 | MME (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1296921-A1 | CYCLIC KETONES, THEIR PREPARATION AND THEIR USE IN THE SYNTHESIS OF AMINO ACIDS | WARNER-LAMBERT COMPANY (US) | 2003-04-02 | — | — | EP | claimed |
| WO-2002000584-A1 | CYCLIC KETONES, THEIR PREPARATION AND THEIR USE IN THE SYNTHESIS OF AMINO ACIDS | WARNER-LAMBERT COMPANY (US) | 2002-01-03 | — | — | WO | claimed |
| US-20050215816-A1 | Cyclic ketones, their preparation and their use in the synthesis of amino acids | BLAKEMORE DAVID C | 2005-09-29 | — | — | US | disclosed |
| US-6872856-B2 | Cyclic ketones, their preparation and their use in the synthesis of amino acids | WARNER-LAMBERT COMPANY (US) | 2005-03-29 | — | — | US | disclosed |
| US-20030187296-A1 | Cyclic ketones, their preparation and their use in the synthesis of amino acids | WARNER-LAMBERT COMPANY | 2003-10-02 | — | — | US | disclosed |
| EP-1296921-A1 | CYCLIC KETONES, THEIR PREPARATION AND THEIR USE IN THE SYNTHESIS OF AMINO ACIDS | WARNER-LAMBERT COMPANY (US) | 2003-04-02 | — | — | EP | disclosed |
| WO-2002000584-A1 | CYCLIC KETONES, THEIR PREPARATION AND THEIR USE IN THE SYNTHESIS OF AMINO ACIDS | WARNER-LAMBERT COMPANY (US) | 2002-01-03 | — | — | WO | disclosed |