⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL515159 | 0.75 | MEN1 (0.45) | — | |
| SCHEMBL6511216 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL208287 | 0.73 | — | — | |
| SCHEMBL6298780 | 0.72 | — | — | |
| SCHEMBL11594609 | 0.72 | TDP1 (0.41) | — | |
| SCHEMBL7790875 | 0.71 | — | — | |
| SCHEMBL1718920 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL5033844 | 0.70 | HDAC6 (0.37) | — | |
| SCHEMBL8279963 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL1415992 | 0.69 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946165-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | claimed |
| EP-0946165-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-10-06 | — | — | EP | claimed |
| WO-1998046220-A1 | COMBINATION THERAPY FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS | MERCK & CO., INC. (US) | 1998-10-22 | — | — | WO | claimed |
| WO-1998018460-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-05-07 | — | — | WO | claimed |
| US-5356888-A | Elastase inhibitors | FARMITALIA CARLO ERBA (IT) | 1994-10-18 | — | — | US | claimed |
| EP-0378604-B1 | 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES | ERBA CARLO SPA (IT) | 1994-03-02 | — | — | EP | claimed |
| EP-0378604-A1 | 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES. | ERBA CARLO SPA (IT) | 1990-07-25 | — | — | EP | claimed |
| WO-1989010926-A1 | 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES | FARMITALIA CARLO ERBA S.R.L. (IT) | 1989-11-16 | — | — | WO | claimed |
| EP-0946164-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2000-08-23 | — | — | EP | disclosed |
| EP-0946164-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998018461-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-05-07 | — | — | WO | disclosed |
| US-5356888-A | Elastase inhibitors | FARMITALIA CARLO ERBA (IT) | 1994-10-18 | — | — | US | disclosed |
| EP-0378604-B1 | 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES | ERBA CARLO SPA (IT) | 1994-03-02 | — | — | EP | disclosed |
| EP-0378604-A1 | 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES. | ERBA CARLO SPA (IT) | 1990-07-25 | — | — | EP | disclosed |
| WO-1989010926-A1 | 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES | FARMITALIA CARLO ERBA S.R.L. (IT) | 1989-11-16 | — | — | WO | disclosed |