⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25949421 | 0.79 | — | — | |
| SCHEMBL8382683 | 0.72 | — | — | |
| SCHEMBL10089570 | 0.72 | — | — | |
| SCHEMBL25037279 | 0.70 | — | — | |
| SCHEMBL8343474 | 0.69 | — | — | |
| SCHEMBL23286045 | 0.68 | — | — | |
| SCHEMBL12713284 | 0.67 | — | — | |
| SCHEMBL24066355 | 0.67 | — | — | |
| SCHEMBL26270750 | 0.67 | — | — | |
| SCHEMBL17206634 | 0.67 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4157343-A | Preparation of aromatic diamines | UOP INC. (US) | 1979-06-05 | — | — | US | claimed |
| US-20170362184-A1 | PRO-SURVIVAL COMPOUNDS | HERIOT-WATT UNIVERSITY (GB) | 2017-12-21 | — | — | US | disclosed |
| US-8772327-B2 | Phenylpropionic acid derivative and use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2014-07-08 | — | — | US | disclosed |
| US-20130131134-A1 | PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF | MORITA KOHEI (JP) | 2013-05-23 | — | — | US | disclosed |
| US-8334314-B2 | Phenylpropionic acid derivative and use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2012-12-18 | — | — | US | disclosed |
| US-20120247847-A1 | THERMOELECTRIC DEVICE WITH MAKE-BEFORE-BREAK HIGH FREQUENCY CONVERTER | TE ENERGY, LLC, A FLORIDA LIMITED LIABILITY COMPANY | 2012-10-04 | — | — | US | disclosed |
| WO-2012085815-A1 | BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS | NOVARTIS AG (CH) | 2012-06-28 | — | — | WO | disclosed |
| US-7928099-B2 | Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists | PFIZER INC (US) | 2011-04-19 | — | — | US | disclosed |
| US-7759372-B2 | Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| US-20100113422-A1 | Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists | ANDREWS MARK | 2010-05-06 | — | — | US | disclosed |
| CN-1732408-B | Radiation-sensitive resin composition | JSR CORP | 2010-04-21 | — | — | CN | disclosed |
| US-20100093819-A1 | PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF | ASAHI KASEI PHARMA CORPORATION (JP) | 2010-04-15 | — | — | US | disclosed |
| US-20090264425-A1 | CHEMICAL COMPOUNDS | PFIZER LIMITED | 2009-10-22 | — | — | US | disclosed |
| US-20090118233-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | MURAI HITOSHI | 2009-05-07 | — | — | US | disclosed |
| US-7358249-B2 | Heterocyclic compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2008-04-15 | — | — | US | disclosed |
| US-7220765-B2 | Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) | 2007-05-22 | — | — | US | disclosed |
| CN-1732408-A | Radiation-sensitive resin composition | JSR CORP (JP) | 2006-02-08 | — | — | CN | disclosed |
| US-4157343-A | Preparation of aromatic diamines | UOP INC. (US) | 1979-06-05 | — | — | US | disclosed |