⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2976898 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL2968167 | 0.73 | — | — | |
| SCHEMBL8510432 | 0.71 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL6906610 | 0.71 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL15771658 | 0.71 | TSHR (0.37) | — | |
| Bromide SCHEMBL15772385 | 0.71 | TSHR (0.37) | — | |
| Methylamine SCHEMBL9746311 | 0.71 | LMNA (0.37) | — | |
| SCHEMBL8524658 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL49939 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL6292784 | 0.65 | TP53 (0.39) | — |
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-5164263-A | Aluminum nitride flakes and spheres | E. I. DU PONT DE NEMOURS & CO. (US) | 1992-11-17 | — | — | US | disclosed |
| US-4908197-A | Aluminum nitride flakes and spheres | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-03-13 | — | — | US | disclosed |