⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7586060 | 0.81 | — | — | |
| SCHEMBL22083859 | 0.71 | — | — | |
| SCHEMBL6000672 | 0.69 | ALDH1A1 (0.64) | — | |
| SCHEMBL30678315 | 0.69 | — | — | |
| SCHEMBL59340 | 0.69 | — | — | |
| SCHEMBL60384 | 0.69 | — | — | |
| SCHEMBL197060 | 0.69 | — | — | |
| SCHEMBL16038142 | 0.69 | ALDH1A1 (0.64) | — | |
| SCHEMBL24123695 | 0.69 | TSHR (0.59) | — | |
| Bromomethane SCHEMBL27529164 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014012081-A2 | CHIRAL CONTROL | ONTORII, INC. (US) | 2014-01-16 | — | — | WO | disclosed |
| WO-2007117180-A1 | AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) | 2007-10-18 | — | — | WO | disclosed |