⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9161278 | 0.81 | CYP19A1 (0.65) | — | |
| SCHEMBL15914462 | 0.81 | CHRM5 (0.39) | — | |
| SCHEMBL10899216 | 0.79 | CYP19A1 (0.62) | — | |
| SCHEMBL2774526 | 0.79 | CYP19A1 (0.86) | — | |
| SCHEMBL2774532 | 0.79 | CYP19A1 (0.86) | — | |
| SCHEMBL29664559 | 0.79 | CYP19A1 (0.86) | — | |
| SCHEMBL11435132 | 0.76 | CYP19A1 (0.54) | — | |
| SCHEMBL11288405 | 0.75 | CYP19A1 (0.91) | — | |
| SCHEMBL3629174 | 0.75 | — | — | |
| SCHEMBL250060 | 0.75 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102209541-B | Modulators of aldehyde dehydrogenase activity and its using method | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2016-05-18 | — | — | CN | disclosed |
| CN-102448457-B | The method and composition for the treatment of flaviviridae infections | Leland Stanford University Council (US) | 2015-09-02 | — | — | CN | disclosed |
| CN-102448458-B | Methods and compositions for treating flaviviridae virus infections | UNIV LELAND STANFORD JUNIOR | 2015-07-22 | — | — | CN | disclosed |
| CN-102341395-B | 3H-imidazo [4,5-c ] pyridine-6-carboxamides as anti-inflammatory agents | BOEHRINGER INGELHEIM INT | 2014-07-30 | — | — | CN | disclosed |
| CN-101903026-B | Methods of treating a flaviviridae family viral infection and compositions for treating a flaviviridae family viral infection | UNIV STANFOR | 2013-05-08 | — | — | CN | disclosed |
| WO-2008052072-A9 | COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR | ACADIA PHARM INC (US) | 2008-07-10 | — | — | WO | disclosed |
| WO-2008052072-A2 | COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR | ACADIA PHARMACEUTICALS INC. (US) | 2008-05-02 | — | — | WO | disclosed |
| US-5843941-A | Ras farnesyl transferase inhibitors | GENENTECH, INC. (US) | 1998-12-01 | — | — | US | disclosed |