⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26710 | 0.97 | — | — | |
| SCHEMBL3736338 | 0.97 | — | — | |
| SCHEMBL26711 | 0.97 | — | — | |
| Bromide SCHEMBL7051478 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL20602679 | 0.94 | — | — | |
| SCHEMBL7166298 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1418361 | 0.94 | — | — | |
| SCHEMBL6917298 | 0.94 | — | — | |
| SCHEMBL6915192 | 0.94 | — | — | |
| SCHEMBL6917216 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010117425-A1 | CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | BIOGEN IDEC MA INC. (US) | 2010-10-14 | — | — | WO | disclosed |
| US-6794385-B2 | ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS | PHARMACIA & UPJOHN, S.P.A. (IT) | 2004-09-21 | — | — | US | disclosed |
| US-20030069236-A1 | New benzoxazine derivatives useful as integrin receptor antagonists | PHARMACIA & UPJOHN S.P.A. (IT) | 2003-04-10 | — | — | US | disclosed |