⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7642703 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7641243 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7643056 | 0.80 | HTR2C (0.33) | — | |
| SCHEMBL8202144 | 0.75 | CHRNB2 (0.34) | — | |
| SCHEMBL8369933 | 0.73 | IDO1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL4237112 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9251280 | 0.71 | — | — | |
| SCHEMBL8201373 | 0.70 | CYP19A1 (0.30) | — | |
| SCHEMBL6909073 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7641549 | 0.70 | — | — |
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-6825294-B1 | TRANSITION METAL COMPLEX COMPRISING OXYGEN-CONTAINING AND CARBONYL COMPOUNDS; AND ALKYLATING AGENT; SYNDIOTACTIC ADDITION POLMERIZATION | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2004-11-30 | — | — | US | disclosed |