⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1639962 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL22771646 | 0.71 | — | — | |
| SCHEMBL21136626 | 0.71 | — | — | |
| SCHEMBL943336 | 0.69 | — | — | |
| SCHEMBL27304845 | 0.69 | — | — | |
| SCHEMBL26216552 | 0.67 | — | — | |
| SCHEMBL7054826 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL5183498 | 0.67 | CYP1A2 (0.56) | — | |
| Bromide SCHEMBL11800221 | 0.67 | CYP1A2 (0.56) | — | |
| Ethylene SCHEMBL11417277 | 0.67 | CYP1A2 (0.56) | — |
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-8304556-B2 | Thiazolyl-dihydro-indazoles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-11-06 | — | — | US | disclosed |
| US-20120108567-A1 | Thiazolyl-Dihydro-Indazoles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-03 | — | — | US | disclosed |
| US-20110118208-A1 | Thiazolyl-Dihydro-Indazoles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-19 | — | — | US | disclosed |