⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL713940 | 0.72 | — | — | |
| SCHEMBL28186402 | 0.72 | — | — | |
| SCHEMBL28347724 | 0.72 | — | — | |
| SCHEMBL28057474 | 0.72 | — | — | |
| SCHEMBL6366396 | 0.69 | — | — | |
| SCHEMBL27724472 | 0.67 | — | — | |
| SCHEMBL28105276 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL1978494 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL711448 | 0.65 | — | — | |
| SCHEMBL1142114 | 0.64 | TSHR (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020017610-A1 | PHOTOCHROMIC COMPOUND AND CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND | 株式会社トクヤマ | 2020-01-23 | — | — | WO | disclosed |
| CN-107815087-A | The solidification composition filling of the colour stable of PIC comprising (ring) aliphatic vulcabond | 巴斯夫欧洲公司 | 2018-03-20 | — | — | CN | disclosed |
| CN-104024296-B | Color-stable curing compositions of polyisocyanates containing (cyclo) aliphatic diisocyanates | 巴斯夫欧洲公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-102712734-B | Catalysts for polyurethane coating compounds | BASF SE (DE) | 2014-10-01 | — | — | CN | disclosed |
| CN-104024296-A | Color-stable curing compositions of polyisocyanates containing (cyclo) aliphatic diisocyanates | BASF SE | 2014-09-03 | — | — | CN | disclosed |