⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17950341 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL17942045 | 0.79 | TDP1 (0.34) | — | |
| SCHEMBL692024 | 0.73 | NOS2 (0.44) | — | |
| SCHEMBL4057745 | 0.72 | NOS2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL1577053 | 0.71 | — | — | |
| SCHEMBL956156 | 0.70 | CDC7 (0.43) | — | |
| SCHEMBL213352 | 0.70 | HTR2A (0.38) | — | |
| SCHEMBL2810659 | 0.70 | KCNH2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL23120669 | 0.69 | LOXL2 (0.39) | — | |
| SCHEMBL14783337 | 0.68 | KMT2A (0.46) | — |
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 |