⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17150138 | 0.85 | ALDH1A1 (0.48) | — | |
| SCHEMBL18100120 | 0.75 | ZDHHC20 (0.35) | — | |
| SCHEMBL19882682 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL18100122 | 0.74 | — | — | |
| SCHEMBL20881432 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28650872 | 0.72 | — | — | |
| SCHEMBL12826433 | 0.72 | ALDH1A1 (0.76) | — | |
| SCHEMBL15871616 | 0.71 | — | — | |
| SCHEMBL3279550 | 0.70 | — | — | |
| SCHEMBL18100123 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2968337-B1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE CAR LLC (BM) | 2021-07-21 | — | — | EP | disclosed |
| US-20160280827-A1 | POLYMERS, HYDROGELS, AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2016-09-29 | — | — | US | disclosed |