⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9316038 | 0.74 | CA12 (0.35) | — | |
| SCHEMBL27000129 | 0.73 | — | — | |
| SCHEMBL681926 | 0.71 | — | — | |
| SCHEMBL11832323 | 0.69 | — | — | |
| SCHEMBL14804679 | 0.69 | — | — | |
| SCHEMBL1005731 | 0.69 | PIK3CD (0.52) | — | |
| SCHEMBL91203 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28188232 | 0.69 | PIK3CD (0.35) | — | |
| SCHEMBL5139662 | 0.69 | — | — | |
| SCHEMBL25813705 | 0.67 | — | — |
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-20190038622-A1 | NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES | WAYNE STATE UNIVERSITY | 2019-02-07 | — | — | US | disclosed |
| WO-2013088256-A1 | SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS | DR. REDDY'S LABORATORIES LTD. (IN) | 2013-06-20 | — | — | WO | disclosed |