⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16845476 | 1.00 | — | — | |
| SCHEMBL16845470 | 1.00 | — | — | |
| SCHEMBL16845466 | 1.00 | — | — | |
| SCHEMBL8313231 | 0.82 | — | — | |
| SCHEMBL10140840 | 0.82 | — | — | |
| SCHEMBL108319 | 0.82 | — | — | |
| SCHEMBL16620971 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL28137936 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL9463777 | 0.79 | CYP2C9 (0.46) | — | |
| SCHEMBL109793 | 0.78 | TSHR (0.38) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9834543-B2 | Indazoles and use thereof | PURDUE PHARMA L.P. (US) | 2017-12-05 | — | — | US | disclosed |
| US-20170283392-A1 | DIBENZAZEPINE DERIVATIVES AND USE THEREOF | PURDUE PHARMA L.P. | 2017-10-05 | — | — | US | disclosed |
| US-9745287-B2 | Pyrimidines and use thereof | PURDUE PHARMA L.P. (US) | 2017-08-29 | — | — | US | disclosed |
| US-9695144-B2 | Dibenzazepine derivatives and use thereof | PURDUE PHARMA L.P. (US) | 2017-07-04 | — | — | US | disclosed |
| US-20170001986-A1 | INDAZOLES AND USE THEREOF | PURDUE PHARMA L.P. | 2017-01-05 | — | — | US | disclosed |
| US-20160332992-A1 | PYRIMIDINES AND USE THEREOF | PURDUE PHARMA L.P. | 2016-11-17 | — | — | US | disclosed |
| US-20150284383-A1 | INDOLE DERIVATIVES AND USE THEREOF | PURDUE PHARMA L.P. | 2015-10-08 | — | — | US | disclosed |
| WO-2015112801-A1 | PYRIDINES AND PYRIMIDINES AND USE THEREOF | PURDUE PHARMA L.P. (US) | 2015-07-30 | — | — | WO | disclosed |
| WO-2015099841-A1 | INDAZOLES AND USE THEREOF | PURDUE PHARMA L.P. (US) | 2015-07-02 | — | — | WO | disclosed |
| WO-2015094443-A1 | PYRIMIDINES AND USE THEREOF | PURDUE PHARMA L.P. (US) | 2015-06-25 | — | — | WO | disclosed |
| US-20150175569-A1 | DIBENZAZEPINE DERIVATIVES AND USE THEREOF | PURDUE PHARMA L.P. | 2015-06-25 | — | — | US | disclosed |