⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21397894 | 0.86 | TDP1 (0.47) | — | |
| SCHEMBL4337588 | 0.74 | — | — | |
| SCHEMBL20889930 | 0.74 | HSD17B10 (0.38) | — | |
| SCHEMBL13398733 | 0.74 | LMNA (0.74) | — | |
| SCHEMBL127427 | 0.72 | — | — | |
| SCHEMBL14346468 | 0.72 | TDP1 (0.33) | — | |
| SCHEMBL20889495 | 0.70 | LMNA (0.46) | — | |
| Methacrylic Acid SCHEMBL331288 | 0.70 | TDP1 (0.35) | — | |
| SCHEMBL2633215 | 0.70 | — | — | |
| SCHEMBL429634 | 0.69 | TDP1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019183284-A1 | SULFUR- AND PHOSPHORUS-CONTAINING POLYMERS, AND METHODS OF PRODUCING THEREOF | NOVOMER, INC. (US) | 2019-09-26 | — | — | WO | disclosed |