⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5354603 | 0.86 | HSP90AB1 (0.51) | — | |
| SCHEMBL5355383 | 0.83 | DHFR (0.60) | — | |
| SCHEMBL5357914 | 0.81 | DHFR (0.49) | — | |
| SCHEMBL5358337 | 0.80 | DHFR (0.51) | — | |
| SCHEMBL5348919 | 0.79 | KDM4E (0.58) | — | |
| SCHEMBL4420382 | 0.77 | DHFR (0.53) | — | |
| SCHEMBL5359927 | 0.77 | ALDH1A1 (0.61) | — | |
| SCHEMBL29349460 | 0.76 | DHFR (0.44) | — | |
| SCHEMBL10479133 | 0.76 | MAOB (0.53) | — | |
| SCHEMBL8386316 | 0.76 | KDM4E (0.58) | — |
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-7256197-B2 | Methods for synthesis of diarylmethanes | DANA-FARBER CANCER INSTITUTE (US) | 2007-08-14 | — | — | US | disclosed |
| US-20040267011-A1 | Methods for synthesis of diarylmethanes | DANA-FARBER CANCER INSTITUTE | 2004-12-30 | — | — | US | disclosed |
| WO-2003031458-A1 | METHODS FOR SYNTHESIS OF DIARYLMETHANES | DANA-FARBER CANCER INSTITUTE (US) | 2003-04-17 | — | — | WO | disclosed |