⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12179253 | 1.00 | — | — | |
| SCHEMBL765512 | 0.81 | — | — | |
| SCHEMBL18066903 | 0.77 | NOS1 (0.43) | — | |
| SCHEMBL20989488 | 0.77 | — | — | |
| SCHEMBL19286511 | 0.77 | — | — | |
| SCHEMBL24963250 | 0.77 | — | — | |
| SCHEMBL4485938 | 0.77 | — | — | |
| SCHEMBL3698239 | 0.77 | NOS1 (0.39) | — | |
| SCHEMBL2592546 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1803155 | 0.76 | NOS1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3002283-B1 | THIAZOLE DERIVATIVES | KYOWA HAKKO KIRIN CO LTD (JP) | 2017-06-14 | — | — | EP | disclosed |