⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6438413 | 1.00 | — | — | |
| SCHEMBL1523518 | 1.00 | — | — | |
| Methylamine SCHEMBL27305489 | 0.95 | NOS3 (0.45) | — | |
| Formic Acid SCHEMBL28238761 | 0.89 | NOS3 (0.37) | — | |
| SCHEMBL169621 | 0.86 | — | — | |
| SCHEMBL858718 | 0.86 | — | — | |
| SCHEMBL6754746 | 0.86 | — | — | |
| SCHEMBL87369 | 0.84 | — | — | |
| SCHEMBL2690522 | 0.84 | TRIM24 (0.38) | — | |
| Ethoxycarbonyl Group SCHEMBL27838800 | 0.83 | ALDH1A1 (0.33) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050215816-A1 | Cyclic ketones, their preparation and their use in the synthesis of amino acids | BLAKEMORE DAVID C | 2005-09-29 | — | — | US | claimed |
| US-6872856-B2 | Cyclic ketones, their preparation and their use in the synthesis of amino acids | WARNER-LAMBERT COMPANY (US) | 2005-03-29 | — | — | US | claimed |
| US-20030187296-A1 | Cyclic ketones, their preparation and their use in the synthesis of amino acids | WARNER-LAMBERT COMPANY | 2003-10-02 | — | — | US | claimed |
| CN-1438985-A | Cyclic ketones, their preparation and their use in the synthesis of amino acids | WARNER LAMBERT CO (US) | 2003-08-27 | — | — | CN | claimed |
| 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-20110311474-A1 | Novel Tricyclic Compounds | ABBOTT LABORATORIES (US) | 2011-12-22 | — | — | US | disclosed |
| 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 |
| CN-1438985-A | Cyclic ketones, their preparation and their use in the synthesis of amino acids | WARNER LAMBERT CO (US) | 2003-08-27 | — | — | CN | 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 |