⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2178716 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17079128 | 0.98 | NOS3 (0.61) | — | |
| Hydrochloric Acid SCHEMBL31033002 | 0.98 | NOS3 (0.61) | — | |
| SCHEMBL339608 | 0.79 | — | — | |
| SCHEMBL29481458 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL23064166 | 0.77 | NOS3 (0.63) | — | |
| SCHEMBL12942062 | 0.77 | — | — | |
| SCHEMBL19931587 | 0.77 | — | — | |
| SCHEMBL7668208 | 0.77 | — | — | |
| SCHEMBL556671 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117683020-A | Aminopyridine compound of phthalazinone, preparation method thereof and application thereof in preparation of inhibitor and antitumor drug | 华南理工大学 | 2024-03-12 | — | — | CN | disclosed |