⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL5110655 | 0.80 | — | — | |
| SCHEMBL5104989 | 0.79 | — | — | |
| SCHEMBL2577115 | 0.78 | — | — | |
| SCHEMBL31383402 | 0.78 | — | — | |
| SCHEMBL20592101 | 0.74 | — | — | |
| SCHEMBL28524371 | 0.70 | — | — | |
| SCHEMBL28112307 | 0.67 | — | — | |
| SCHEMBL7232241 | 0.65 | — | — | |
| SCHEMBL17374984 | 0.64 | — | — | |
| SCHEMBL23631727 | 0.64 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118666669-A | Efficient asymmetric synthesis method of sitafloxacin intermediate (1S, 2S) -2-fluorocyclopropyl carboxylic acid | 四川大学 | 2024-09-20 | — | — | CN | disclosed |
| EP-3558981-A1 | PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | Orion Corporation (FI) | 2019-10-30 | — | — | EP | disclosed |
| WO-2018115591-A1 | PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | ORION CORPORATION (FI) | 2018-06-28 | — | — | WO | disclosed |
| US-20170266160-A1 | METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2017-09-21 | — | — | US | disclosed |
| CN-101203500-B | Substituted arylamine compounds and their use as 5-HT6Use of modulators | GALENEA CORP | 2013-08-21 | — | — | CN | disclosed |
| CN-101203500-A | Substituted arylamine compounds and their use as 5-HT6Use of modulators | EPIX DELAWARE INC (US) | 2008-06-18 | — | — | CN | disclosed |
| US-7342027-B2 | 1-phenylpiperidin-3-one derivatives and processes for the preparation thereof | YUHAN CORPORATION (KR) | 2008-03-11 | — | — | US | disclosed |
| US-20050234057-A1 | 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof | DONG-A PHARMACEUTICAL CO., LTD. (KR) | 2005-10-20 | — | — | US | disclosed |
| WO-2004011457-A1 | 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | YUHAN CORPORATION (KR) | 2004-02-05 | — | — | WO | disclosed |