⚠ 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 | |
|---|---|---|---|---|
| Mercaptopropionic Acid SCHEMBL436192 | 0.94 | ACE (0.57) | — | |
| Mercaptopropionic Acid SCHEMBL5424483 | 0.94 | ACE (0.57) | — | |
| Mercaptopropionic Acid SCHEMBL28405529 | 0.91 | FFAR3 (0.59) | — | |
| Mercaptopropionic Acid SCHEMBL22471706 | 0.91 | FFAR3 (0.59) | — | |
| Mercaptopropionic Acid SCHEMBL8724601 | 0.91 | FFAR3 (0.58) | — | |
| Mercaptopropionic Acid SCHEMBL970738 | 0.91 | FFAR3 (0.58) | — | |
| Mercaptopropionic Acid SCHEMBL5477406 | 0.91 | — | — | |
| Mercaptopropionic Acid SCHEMBL7779538 | 0.91 | FFAR3 (0.59) | — | |
| Mercaptopropionic Acid SCHEMBL23499850 | 0.90 | ACE (0.60) | — | |
| Mercaptopropionic Acid SCHEMBL10853644 | 0.90 | ACE (0.67) | — |
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-110531582-A | Hardening resin composition and application thereof | NIPPON CATALYTIC CHEM IND | 2019-12-03 | — | — | CN | disclosed |
| CN-103576457-B | Curable resin composition and use thereof | 株式会社日本触媒 | 2019-10-25 | — | — | CN | disclosed |
| CN-103163733-B | Hardening resin composition and application thereof | 株式会社日本触媒 | 2018-08-07 | — | — | CN | disclosed |
| CN-105585579-A | Compound, preparation method thereof, and preparation method of maytansine DM1 | NANJING LEVENA BIOPHARMA CO LTD | 2016-05-18 | — | — | CN | disclosed |