⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL20571141 | 0.93 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL18797016 | 0.85 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL204190 | 0.85 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL282294 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL6912539 | 0.85 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL4342494 | 0.85 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL20569660 | 0.85 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL20569310 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL20541013 | 0.85 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL7870567 | 0.85 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5525688-A | ALLYLNICKEL COUNTERION COMPLEX REACTED WITH HALOGENATED KETONE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1996-06-11 | — | — | US | disclosed |
| WO-1995014046-A1 | HIGHLY ACTIVE PI-ALLYLNICKEL-BASED POLYMERIZATION INITIATORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-05-26 | — | — | WO | disclosed |
| US-5395811-A | Reacted with halogenated ketone; stereospecific | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-03-07 | — | — | US | disclosed |