⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7043871 | 1.00 | — | — | |
| SCHEMBL4453986 | 0.94 | — | — | |
| SCHEMBL3200848 | 0.88 | — | — | |
| SCHEMBL3219472 | 0.83 | — | — | |
| SCHEMBL4954124 | 0.77 | — | — | |
| SCHEMBL3221624 | 0.76 | — | — | |
| SCHEMBL4954547 | 0.74 | — | — | |
| SCHEMBL2686555 | 0.72 | MEN1 (0.44) | — | |
| SCHEMBL10532842 | 0.72 | MEN1 (0.38) | — | |
| Perflubutane SCHEMBL5190215 | 0.71 | LMNA (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2198869-B1 | TREHALOSE FOR THE TREATMENT OR PREVENTION OF VASOSPASM | NEXT 21 K K (JP) | 2015-09-16 | — | — | EP | disclosed |
| US-8283337-B2 | Therapeutic or prophylactic agent for vasoconstriction | NEXT21 K.K. (JP) | 2012-10-09 | — | — | US | disclosed |
| EP-2198869-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR VASOCONSTRICTION | Next 21 K.K. (JP) | 2010-06-23 | — | — | EP | disclosed |
| US-20100035837-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR VASOCONSTRICTION | NEXT21 K.K. (JP) | 2010-02-11 | — | — | US | disclosed |