⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7204785 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL217205 | 0.83 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL219382 | 0.72 | — | — | |
| SCHEMBL7208631 | 0.68 | — | — | |
| SCHEMBL7204678 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL2116036 | 0.61 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL217485 | 0.61 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL9065308 | 0.59 | — | — | |
| SCHEMBL2320935 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL217229 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1040146-B1 | ELASTOMERIC PROPYLENE POLYMERS | EXXONMOBIL CHEM PATENTS INC (US) | 2003-10-08 | — | — | EP | disclosed |
| US-6184327-B1 | AS THERMOPLASTIC ELASTOMER | EXXON CHEMICAL PATENTS, INC. | 2001-02-06 | — | — | US | disclosed |