⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11002072 | 0.75 | — | — | |
| SCHEMBL271045 | 0.75 | — | — | |
| SCHEMBL16864431 | 0.72 | — | — | |
| SCHEMBL25092058 | 0.71 | — | — | |
| SCHEMBL22589981 | 0.71 | — | — | |
| SCHEMBL10136505 | 0.71 | — | — | |
| SCHEMBL16865718 | 0.69 | — | — | |
| SCHEMBL31398315 | 0.69 | — | — | |
| SCHEMBL3039630 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL1979509 | 0.69 | — | — |
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-11518745-B2 | Heterocyclic compounds for the treatment of neurological and psychological disorders | ALKERMES PHARMA IRELAND LIMITED (IE) | 2022-12-06 | — | — | US | disclosed |
| US-20200407320-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS | JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT | 2020-12-31 | — | — | US | disclosed |