⚠ 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL437384 | 0.82 | HTR6 (0.34) | — | |
| Phenol SCHEMBL4436632 | 0.82 | HTR6 (0.34) | — | |
| SCHEMBL6357318 | 0.80 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL648408 | 0.80 | HTR2A (0.35) | — | |
| Hydrochloric Acid SCHEMBL151866 | 0.80 | HTR2A (0.35) | — | |
| SCHEMBL5839790 | 0.80 | HTR2A (0.35) | — | |
| Bromide SCHEMBL616105 | 0.80 | HTR2A (0.39) | — | |
| Fluoride Ion SCHEMBL1130929 | 0.80 | HTR2A (0.35) | — | |
| Hydrochloric Acid SCHEMBL8017987 | 0.79 | HTR6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7190324 | 0.78 | HTR2A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003231693-A | METHOD FOR PRODUCING ARYLOXYMETALLOCENE COMPOUND | KANTO CHEM CO INC | 2003-08-19 | — | — | JP | disclosed |