⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7153257 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5367425 | 0.71 | NPC1 (0.31) | — | |
| SCHEMBL27369569 | 0.71 | HTR2C (0.31) | — | |
| SCHEMBL6139097 | 0.70 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6757539 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6656064 | 0.69 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8458988 | 0.69 | GPR3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5582101 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL15671584 | 0.67 | NPC1 (0.33) | — | |
| SCHEMBL6656063 | 0.66 | NPC1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0984989-B1 | USE OF METALLOCENE CATALYSTS FOR PRODUCING REGIOSPECIFIC, ISOTACTIC POLYOLEFINS | ATOFINA RES (BE) | 2003-06-25 | — | — | EP | claimed |