⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10593132 | 1.00 | — | — | |
| SCHEMBL24350484 | 1.00 | — | — | |
| SCHEMBL15326211 | 0.93 | — | — | |
| SCHEMBL21385727 | 0.84 | — | — | |
| SCHEMBL3535514 | 0.81 | — | — | |
| SCHEMBL12371218 | 0.79 | CYP1A2 (0.50) | — | |
| SCHEMBL10206077 | 0.77 | — | — | |
| SCHEMBL294017 | 0.77 | — | — | |
| SCHEMBL8325168 | 0.77 | — | — | |
| SCHEMBL1386963 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114644631-A | KRAS G12C protein mutation inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-06-21 | — | — | CN | disclosed |
| US-20190029977-A1 | Use of Thiol Compounds to Treat Neurological Disease | ZANKEL, TODD C, MR | 2019-01-31 | — | — | US | disclosed |
| US-4798827-A | Synergistin derivatives and pharmaceutical compositions which contain them | RHONE-POULENC SANTE (FR) | 1989-01-17 | — | — | US | disclosed |
| US-4668669-A | BACTERICIDES, MICROBIOCIDES, SYNERGISTINS | RHONE-POULENC SANTE (FR) | 1987-05-26 | — | — | US | disclosed |