⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1936731 | 0.77 | — | — | |
| SCHEMBL1936734 | 0.77 | — | — | |
| SCHEMBL7529898 | 0.77 | — | — | |
| SCHEMBL3800527 | 0.77 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL11483455 | 0.75 | LMNA (0.40) | — | |
| SCHEMBL7263076 | 0.73 | — | — | |
| SCHEMBL11858973 | 0.73 | — | — | |
| SCHEMBL4791766 | 0.69 | — | — | |
| SCHEMBL2354631 | 0.69 | — | — | |
| SCHEMBL11024924 | 0.69 | ALDH1A1 (0.47) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901457-A1 | POLYMERIZATION CATALYST PROMOTER | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997043243-A1 | POLYMERIZATION CATALYST PROMOTER | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1997-11-20 | — | — | WO | disclosed |
| US-4720591-A | Preparation of chloro-olefins | BASF AKTIENGESELLSCHAFT (DE) | 1988-01-19 | — | — | US | disclosed |
| EP-0167097-B1 | PROCESS FOR PREPARING CHLOROOLEFINS | BASF Aktiengesellschaft (DE) | 1987-09-30 | — | — | EP | disclosed |
| US-4681977-A | REDUCTION OF TRICHLOROMETHYL COMPOUND WITH CHROMIUM SALT | BASF AKTIENGESELLSCHAFT (DE) | 1987-07-21 | — | — | US | disclosed |
| EP-0167097-A1 | Process for preparing chloroolefins | BASF Aktiengesellschaft (DE) | 1986-01-08 | — | — | EP | disclosed |