⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL1706338 | 1.00 | LMNA (0.40) | — | |
| Formic Acid SCHEMBL5818354 | 0.96 | LMNA (0.38) | — | |
| SCHEMBL28293011 | 0.82 | — | — | |
| Bicarbonate SCHEMBL27856188 | 0.82 | — | — | |
| SCHEMBL28143828 | 0.82 | — | — | |
| Bicarbonate SCHEMBL10451074 | 0.80 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL5154473 | 0.80 | — | — | |
| SCHEMBL2414 | 0.80 | — | — | |
| Formic Acid SCHEMBL741409 | 0.80 | — | — | |
| Oxalic Acid SCHEMBL1333025 | 0.76 | — | — |
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-110464718-A | Pharmaceutical composition comprising POH derivative | NEONC TECH INC | 2019-11-19 | — | — | CN | disclosed |
| CN-110267538-A | Perilla alcohol-3-bromopyruvate conjugates and methods of treating cancer | 尼昂克技术公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-109562092-A | Treat pula moral-Willie syndrome method | 纽约市哥伦比亚大学理事会 | 2019-04-02 | — | — | CN | disclosed |
| CN-104744215-B | Pharmaceutical composition comprising monoterpene | 尼昂克技术公司 | 2019-03-15 | — | — | CN | disclosed |