⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4288698 | 0.91 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3668608 | 0.89 | MEN1 (0.32) | — | |
| SCHEMBL13880002 | 0.79 | — | — | |
| SCHEMBL3973511 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3675114 | 0.70 | PNP (0.30) | — | |
| SCHEMBL14345875 | 0.69 | SPHK2 (0.33) | — | |
| SCHEMBL13035000 | 0.66 | TSHR (0.58) | — | |
| SCHEMBL5680169 | 0.62 | CA12 (0.32) | — | |
| SCHEMBL3079040 | 0.62 | CYP1A2 (0.48) | — | |
| SCHEMBL19368532 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090098145-A1 | METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY | SIRION THERAPEUTICS, INC. (US) | 2009-04-16 | — | — | US | disclosed |