⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5027219 | 0.74 | — | — | |
| SCHEMBL482023 | 0.66 | EPHX2 (0.31) | — | |
| SCHEMBL482022 | 0.66 | EPHX2 (0.31) | — | |
| SCHEMBL154522 | 0.66 | EPHX2 (0.31) | — | |
| SCHEMBL277967 | 0.64 | PPM1D (0.33) | — | |
| SCHEMBL277966 | 0.64 | PPM1D (0.33) | — | |
| SCHEMBL278515 | 0.64 | PPM1D (0.33) | — | |
| SCHEMBL1498386 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL20973330 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL481634 | 0.63 | ALDH1A1 (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11046697-B2 | Compounds and compositions useful for treating disorders related to NTRK | BLUEPRINT MEDICINES CORPORATION | 2021-06-29 | — | — | US | disclosed |
| US-20190169194-A1 | COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK | BLUEPRINT MEDICINES CORPORATION | 2019-06-06 | — | — | US | disclosed |
| US-10017512-B2 | Compounds and compositions useful for treating disorders related to NTRK | BLUEPRINT MEDICINES CORPORATION (US) | 2018-07-10 | — | — | US | disclosed |
| US-20170066773-A1 | COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK | BLUEPRINT MEDICINES CORPORATION | 2017-03-09 | — | — | US | disclosed |
| EP-1773791-B1 | PYRROLOTRIAZINE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2010-09-22 | — | — | EP | disclosed |
| US-7102003-B2 | Pyrrolotriazine compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-05 | — | — | US | disclosed |
| US-20060014745-A1 | Pyrrolotriazine compounds | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-19 | — | — | US | disclosed |