⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL6513380 | 0.76 | DRD2 (0.36) | — | |
| SCHEMBL6911088 | 0.76 | DRD2 (0.37) | — | |
| SCHEMBL28594115 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL6912887 | 0.71 | — | — | |
| SCHEMBL6910382 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6514685 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6514199 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6514204 | 0.70 | — | — | |
| SCHEMBL17296063 | 0.69 | — | — | |
| SCHEMBL6912880 | 0.69 | LMNA (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6693156-B1 | SIMPLY AND EFFICIENTLY SYNTHESIZED MATERIALS WITH VARIED SUBSTITUTION FOR TAILORED POLYMER PROPERTIES | BASELL POLYOLEFINE GMBH (DE) | 2004-02-17 | — | — | US | disclosed |
| US-6541584-B1 | Homo or copolymerizing one or more olefinic monomer in presence of a bis/tetrahydroindenyl/ metallocene catalyst | BASELL POLIOLEFINE ITALIA S.P.A. (IT) | 2003-04-01 | — | — | US | disclosed |