⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5033883 | 0.71 | KDM1A (0.38) | — | |
| SCHEMBL4457056 | 0.68 | — | — | |
| SCHEMBL6266174 | 0.55 | HTR2A (0.34) | — | |
| Hydrochloric Acid SCHEMBL7527863 | 0.55 | LMNA (0.33) | — | |
| Benzene SCHEMBL6813204 | 0.55 | LMNA (0.36) | — | |
| SCHEMBL7696567 | 0.55 | KDM1A (0.32) | — | |
| SCHEMBL15535721 | 0.55 | MAOA (0.39) | — | |
| SCHEMBL8149969 | 0.55 | LMNA (0.35) | — | |
| SCHEMBL4652033 | 0.54 | HTR2A (0.33) | — | |
| SCHEMBL6344924 | 0.54 | DRD2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090156763-A1 | Process for manufacturing a thermoplastic elastomeric material | PIRELLI & C. S.P.A. (IT) | 2009-06-18 | — | — | US | claimed |