⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8663400 | 0.79 | KDM1A (0.34) | — | |
| SCHEMBL8666782 | 0.76 | — | — | |
| SCHEMBL8664835 | 0.68 | — | — | |
| SCHEMBL1721037 | 0.67 | — | — | |
| SCHEMBL8663463 | 0.63 | — | — | |
| SCHEMBL8664859 | 0.63 | — | — | |
| SCHEMBL8089748 | 0.61 | HTR2C (0.38) | — | |
| SCHEMBL9381595 | 0.60 | — | — | |
| SCHEMBL8665200 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL8874465 | 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-20220388962-A1 | MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS | FOX CHASE CHEMICAL DIVERSITY CENTER INC. | 2022-12-08 | — | — | US | disclosed |
| EP-4017492-A1 | MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS | Biohaven Therapeutics Ltd. (US) | 2022-06-29 | — | — | EP | disclosed |