⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11798148 | 1.00 | — | — | |
| SCHEMBL19302234 | 0.92 | — | — | |
| SCHEMBL7636258 | 0.92 | — | — | |
| SCHEMBL7636267 | 0.92 | — | — | |
| SCHEMBL11315173 | 0.81 | — | — | |
| SCHEMBL9480781 | 0.80 | — | — | |
| SCHEMBL9480785 | 0.80 | — | — | |
| SCHEMBL16969598 | 0.79 | — | — | |
| SCHEMBL16969594 | 0.79 | — | — | |
| SCHEMBL16026382 | 0.79 | EP300 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4000200-A | PREPARATION OF KETONES FROM OLEFINS | PETRO-TEX CHEMICAL CORPORATION (US) | 1976-12-28 | — | — | US | disclosed |
| US-3981876-A | ANTIHISTAMINES, APPETITE STIMULANTS | MERCK & CO., INC. (US) | 1976-09-21 | — | — | US | disclosed |
| US-3968115-A | OR 11)-BROMO-10,11-DIHYDRO-5H-DIBENZO(A,D)-CYCLOHEPTEN-5-YLIDENE PIPERIDINE COMPOUNDSANTIHISTAMINE, APPETITE STIMULANT | MERCK & CO., INC. (US) | 1976-07-06 | — | — | US | disclosed |
| US-3960872-A | ANTIHISTAMINES, APPETITE STIMULANT | MERCK & CO., INC. (US) | 1976-06-01 | — | — | US | disclosed |