⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17253192 | 0.84 | PTGS2 (0.30) | — | |
| SCHEMBL17239504 | 0.78 | DGAT1 (0.31) | — | |
| SCHEMBL17251558 | 0.71 | CYP19A1 (0.31) | — | |
| SCHEMBL18031784 | 0.68 | HTR2A (0.41) | — | |
| SCHEMBL13476171 | 0.61 | — | — | |
| SCHEMBL19631128 | 0.60 | TAAR1 (0.51) | — | |
| SCHEMBL18804151 | 0.60 | L3MBTL1 (0.32) | — | |
| SCHEMBL17253644 | 0.59 | MGMT (0.46) | — | |
| SCHEMBL20127141 | 0.59 | NPC1 (0.32) | — | |
| SCHEMBL5006028 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9328096-B2 | Tropomyosin-related kinase inhibitors | PFIZER INC. (US) | 2016-05-03 | — | — | US | disclosed |
| US-20150322043-A1 | TROPOMYOSIN-RELATED KINASE INHIBITORS | PFIZER (US) | 2015-11-12 | — | — | US | disclosed |