⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8689223 | 0.86 | CYP2C9 (0.32) | — | |
| SCHEMBL19257460 | 0.84 | CYP2C9 (0.41) | — | |
| SCHEMBL12580946 | 0.83 | CYP2C9 (0.30) | — | |
| SCHEMBL28410830 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL19257464 | 0.83 | TSHR (0.41) | — | |
| SCHEMBL27782220 | 0.83 | TSHR (0.41) | — | |
| SCHEMBL7094163 | 0.83 | — | — | |
| SCHEMBL5719 | 0.80 | — | — | |
| SCHEMBL14007344 | 0.80 | — | — | |
| SCHEMBL6041979 | 0.80 | — | — |
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-20120022140-A1 | Method of treating a cancer with a survivin antisense oligonucleotide and paclitaxel | ELI LILLY AND COMPANY (US) | 2012-01-26 | — | — | US | disclosed |
| US-6117999-A | Methods of making HIV-protease inhibitors and intermediates for making HIV-protease inhibitors | AGOURON PHRAMACEUTICALS, INC. (US) | 2000-09-12 | — | — | US | disclosed |
| US-4859759-A | Siloxane containing benzotriazolyl/tetraalkylpiperidyl substituent | KIMBERLY-CLARK CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |