⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21296019 | 0.98 | NPSR1 (0.34) | — | |
| Acetic Acid SCHEMBL1662333 | 0.93 | NPSR1 (0.32) | — | |
| SCHEMBL851918 | 0.82 | NPSR1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL19281613 | 0.81 | NPSR1 (0.34) | — | |
| SCHEMBL18756746 | 0.80 | NPSR1 (0.35) | — | |
| SCHEMBL659895 | 0.79 | NPSR1 (0.37) | — | |
| SCHEMBL854175 | 0.76 | KDM4E (0.41) | — | |
| SCHEMBL390361 | 0.76 | — | — | |
| SCHEMBL2237024 | 0.75 | — | — | |
| SCHEMBL11490346 | 0.75 | MEN1 (0.34) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116082359-A | Method for preparing 9-carbonyl-5-oxo-2, 8-aza [3.5] nonane-2-carboxylic acid tert-butyl ester | 南通药明康德医药科技有限公司 | 2023-05-09 | — | — | CN | claimed |
| CN-116082359-A | Method for preparing 9-carbonyl-5-oxo-2, 8-aza [3.5] nonane-2-carboxylic acid tert-butyl ester | 南通药明康德医药科技有限公司 | 2023-05-09 | — | — | CN | disclosed |
| WO-2023016527-A1 | CLASS OF BENZOXAZINE SPIRO COMPOUNDS AND PREPARATION METHOD THEREFOR | 南京明德新药研发有限公司 | 2023-02-16 | — | — | WO | disclosed |
| EP-2364976-B1 | S1P receptor modulating compounds and use thereof | EPIX PHARM INC (US) | 2014-10-08 | — | — | EP | disclosed |
| EP-2306994-B1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC (US) | 2013-08-14 | — | — | EP | disclosed |
| US-20120129828-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. | 2012-05-24 | — | — | US | disclosed |
| EP-2364976-A1 | S1P receptor modulating compounds and use thereof | EPIX Pharmaceuticals, Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| EP-2364976-A1 | S1P receptor modulating compounds and use thereof | EPIX Pharmaceuticals, Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| US-20110212940-A1 | S1P Receptor Modulating Compounds and Use Thereof | EPIX PHARMACEUTICALS, INC. (US) | 2011-09-01 | — | — | US | disclosed |
| US-20110212940-A1 | S1P Receptor Modulating Compounds and Use Thereof | EPIX PHARMACEUTICALS, INC. (US) | 2011-09-01 | — | — | US | disclosed |
| EP-2121648-A2 | S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| CN-100478343-C | Purine compound and use as cannabinoid receptor ligands | PFIZER (US) | 2009-04-15 | — | — | CN | disclosed |
| CN-100439369-C | Purine compounds and their use as cannabinoid receptor ligands | PFIZER (US) | 2008-12-03 | — | — | CN | disclosed |
| US-20080027036-A1 | S1P receptor modulating compounds and use thereof | EPIX DELAWARE, INC. (US) | 2008-01-31 | — | — | US | disclosed |
| US-20080027036-A1 | S1P receptor modulating compounds and use thereof | EPIX DELAWARE, INC. (US) | 2008-01-31 | — | — | US | disclosed |
| US-20080027036-A1 | S1P receptor modulating compounds and use thereof | EPIX DELAWARE, INC. (US) | 2008-01-31 | — | — | US | disclosed |
| WO-2007109334-A2 | SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX DELAWARE, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007109334-A2 | SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX DELAWARE, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| CN-1955182-A | Purine compound and use as cannabinoid receptor ligands | PFIZER (US) | 2007-05-02 | — | — | CN | disclosed |
| CN-1955181-A | Purine compound and use as cannabinoid receptor ligands | PFIZER (US) | 2007-05-02 | — | — | CN | disclosed |